Albert Poater

Research Scientist-Universitat de Girona

Publications

Publications (209 papers, 8000 citations, h-index = 51, corresponding author* =100)

ISI Web Of Knowledge, advanced papers (15/01/2020); ResearcherID: http://www.researcherid.com/rid/D-6586-2013, http://orcid.org/0000-0002-8997-2599

Summary:

Number of papers Journal Impact factor Quartile
14 J. Am. Chem. Soc. 13.038 Q1
2 Coord. Chem. Rev. 12.994 Q1
7 Angew. Chem. Int. Ed. 11.709 Q1
7 ACS Catal. 9.307 Q1
2 Chem. Sci. 9.144 Q1
5 Chem. Commun. 6.567 Q1
1 Org. Lett. 6.492 Q1
20 Chem. Eur. J. 5.771 Q1
1 J. Chem. Theory Comput. 5.301 Q1
3 Catal. Sci. Technol. 5.287 Q1
17 Inorg. Chem. 4.82 Q1
2 Org. Chem. Front. 4.693 Q1
2 Phys. Chem. Chem. Phys. 4.449 Q1
12 Organometallics 4.186 Q1
14 Dalton Trans. 4.177 Q1
2 J. Mol. Catal. A Chem. 3.958 Q2
1 J. Comp. Chem. 3.648 Q1
3 ChemistryOpen 3.585 Q2
1 Org. Biomol. Chem. 3.559 Q1
1 Curr. Med. Chem. 3.455 Q1
1 Catal. Commun. 3.389 Q2
1 J. Phys. Chem. B 3.187 Q2
1 J. Phys. Chem. A 2.883 Q2
5 Eur. J. Inorg. Chem. 2.686 Q2
4 Beilstein J. Org. Chem. 2.697 Q2
1 Molecules 2.416 Q2
1 J. Organomet. Chem. 2.336 Q2
1 IDRUGS 2.328 Q2
1 Synlett 2.419 Q2
1 Regul. Toxicol. Pharm. 2.227 Q1
3 Chem. Phys. Lett. 1.86 Q2
2 Struct. Chem. 1.854 Q2
4 Theor. Chem. Acc. 1.806 Q3
1 Chem. Heter. Comp. 0.815 Q4
1 Tourism Economics 0.392 Q3
1 ChemistrySelect 1.505 Q3
1 Nanoscale 7.233 Q1
1 J. Phys. Chem. Lett. 7.653 Q1
2 Nato Series chapters BOOK
2 Wiley chapter BOOK

209*        W. Natongchai, J. A. Luque-Urrutia, Ch. Phyngpanyia, M. Solà, V. D’Elia, A. Poater, H. Zipse, Cycloaddition of CO2 to epoxides by highly nucleophilic 4-aminopyridines: establishing a relationship between carbon basicity and catalytic performance by experimental and DFT investigations. Org. Chem. Front. 2021, 8, 249-253. DOI: 10.1039/d0qo01327g

208*        M. Tabrizi, S. Sadjadi, G. Pareras, M. Nekoomanesh-Haghighi, N. Bahri-Laleh, A. Poater, “Efficient hydro-finishing of polyalfaolefin based lubricants under mild reaction condition using Pd on ligands decorated halloysite; J. Colloid Interface Sci. 2021, 581, 939-953. DOI: 10.1016/j.jcis.2020.08.112; IF: 6.361, Q1

207*        E. Pump, A. Poater, N. Bahri-Laleh, R. Credendino, L. Serra, V. Scarano, L. Cavallo; “Regio, Stereo and Chemoselectivity of 2nd Generation Grubbs Ruthenium-Catalyzed Olefin Metathesis”; Catal. Today 2021, DOI: 0.1016/j.cattod.2020.04.071.

206*        V. Aomchad, S. Del Globo, A. Poater, V. D’Elia; “Exploring the potential of Group III salen complexes for the conversion of CO2 under ambient conditions”; Catal. Today 2021, in press. DOI: 10.1039/c9cy01642b; IF: 4.888, Q1

205*        L. M. Azofra, S. V. C. Vummaleti, Z. Zhang, A. Poater, L. Cavallo, “σ/π Plasticity of NHCs on the Ruthenium–Phosphine and Ruthenium═Ylidene Bonds in Olefin Metathesis Catalysts”; Organometallics 2020, 39, 3972-3982. DOI: 10.1021/acs.organomet.0c00536

204          A. Saidi, M. K. Samantaray, A. Poater, M. Tretiakov, L. Cavallo, J.‐M. Basset, “Metathesis of Classical and Functionalized Olefins Catalyzed by Silica‐Supported Single‐Site Well‐Defined W and Mo Pre‐catalysts”; ChemCatChem 2020, 12, 6067-6075. DOI: 10.1002/cctc.202000897

203*        J. A. Luque-Urrutia, J. M. Kamdar, D. B. Grotjahn, M. Solà, A. Poater, “Understanding the Performance of a Bisphosphonate Ru

Water Oxidation Catalyst”; Dalton Trans. 2020, 49, 14052-14060. DOI: 10.1039/d0dt02253e

202*        M Gimferrer, MC D’Alterio, G Talarico, Y Minami, T Hiyama, A Poater, “Allyl Monitorization of the Regioselective Pd-Catalyzed Annulation of Alkylnyl Aryl Ethers Leading to Bismethylenechromanes”; J. Org. Chem. 2020, 85, 12262-12269. DOI: 10.1021/acs.joc.0c01503

201*        A. Poater, “Michael Acceptors Tuned by the Pivotal Aromaticity of Histidine to Block COVID-19 Activity”, J. Phys. Chem. Lett. 2020, 11, 6262-6265. DOI: 10.1021/acs.jpclett.0c01828

200*        T. Zhou, S. Ma, F. Nahra, A. M. C. Obled, A. Poater, L. Cavallo, C. S. J. Cazin, S. P Nolan, M. Szostak, “[Pd(NHC)(μ-Cl)Cl] 2: Versatile and Highly Reactive Complexes for Cross-Coupling Reactions that Avoid Formation of Inactive Pd (I) Off-Cycle Products”; iScience 2020, 23, 101377. DOI: 10.1016/j.isci.2020.101377

199*        P. Yingcharoen, W. Natongchai, A. Poater, V. D’ Elia, “Intertwined chemistry of hydroxyl hydrogen-bond donors, epoxides and isocyanates in the organocatalytic synthesis of oxazolidinones versus isocyanurates: rational catalytic investigation and mechanistic understanding”; Catal. Sci. Technol. 2020, 10, 5544-5558. DOI: 10.1039/D0CY00987C

198*        G. Pareras, D. Detiana, A. Poater, “MOF encapsulation of Ru olefin metathesis catalysts to block catalyst decomposition”; Catalysts 2020, 10, 687. DOI: 10.3390/catal10060687

197*        A. Hanifpour, N. Bahri-Laleh, M. Nekoomanesh-Haghighi, A. Poater, “Coordinative Chain Transfer Polymerization of 1-Decene in the Presence of A Ti-Based Diamine Bis(phenolate) Catalyst: A Green approach to Produce Low Viscosity PAOs”, Green Chem. 2020, 22, 4617-4626. DOI: 10.1039/D0GC00439A

196*        S. Escayola, M. Solà, A. Poater, “Mechanism of the Facile Nitrous Oxide fixation by Homogeneous Ruthenium Hydride Pincer Catalysts”; Inorg Chem. 2020, 59, 9374-9383. DOI: 10.1021/acs.inorgchem.0c01252

195*        A. Poater, M. C. D’Alterio, G. Talarico, R. Chauvin, “Arene vs alkene substrates in Ru-catalyzed olefin metathesis: a DFT investigation”; Eur. J. Org. Chem. 2020, 2020, 4743-4749. DOI: 10.1002/ejoc.202000725

194*        A. Hanifpour, N. Bahri-Laleh, M. Nekoomanesh-Haghighi, A. Poater, “Group IV diamine bis(phenolate) catalysts for 1-decene oligomerization”; Mol. Catal. 2020, 493, 111047. DOI: 10.1016/j.mcat.2020.111047

193*        C. D. Mboyi, A. Poater, J. Poater, C. Duhayon, R. Chauvin, “Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums”; J. Org. Chem. 2020, 85, 7452-7458. DOI: 10.1021/acs.joc.0c00847

192          D. Listunov, O. Hammerich, I. Caballero-Quintana, A. Poater, C. Barthes, C. Duhayon, M. H. Larsen, J.-L. Maldonado, G. Ramos-Ortiz, M. B. Nielsen, V. Maraval, R. Chauvin; “Core carbo‐mer of an extended tetrathiafulvalene: redox‐controlled reversible conversion to a carbo‐benzenic dication”; Chem. Eur. J. 2020, 26, 10707-10711. DOI: 10.1002/chem.202001700

191*        S. Coufourier, Q. Gaignard-Gaillard, J.-F. Lohier, A. Poater, S. Gaillard, J.-L. Renaud; “Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes”; ACS Catal. 2020, 10, 2108-2116. DOI: 10.1021/acscatal.9b04340; IF: 12.221, D1

190          W. Al Maksoud, A. Saidi, M. K. Samantaray, E. Abou-Hamad, A. Poater, S. Ould-Chikh, X. Guo, E. Guan, T. Ma, B. C. Gates, J.-M. Basset; “Docking of tetra-methyl zirconium to the surface of silica: a well-defined pre-catalyst for conversion of CO2 to cyclic carbonate”; Chem. Commun. 2020, 56, 3528-3531. DOI: 10.1039/C9CC07383C; IF: 6.164, Q1

189*        A. R. Shaikh, M. Ashraf, T. AlMayef, M. Chawla, A. Poater, L. Cavallo; “Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations”; Chem. Phys. Lett. 2020, 745, 137239. DOI: 10.1016/j.cplett.2020.137239; IF: 1.860, Q3

188*        G. Li, T. Zhou, A. Poater, L. Cavallo, S. P Nolan, M. Szostak, “Buchwald-Hartwig Cross-Coupling of Amides (Transamidation) by Selective N–C(O) Cleavage Mediated by Air- and Moisture-Stable [Pd(NHC)(allyl)Cl] Precatalysts: Catalyst Evaluation and Mechanism”; Catal. Sci. Technol. 2020, 10, 710-715. DOI: 10.1039/C9CY02080B; IF: 5.726, Q1

187*        C. D’Alterio, Y.-C. Yuan, C. Bruneau, G. Talarico, R. Gramage-Doria, A. Poater; “Base-controlled, product switch in the ruthenium-catalyzed protodecarbonylation of phthalimides: a mechanistic study”; Catal. Sci. Technol. 2020, 10, 180-186. DOI: 10.1039/C9CY02047K; IF: 5.726, Q1

186*        M. Ramos, J. Poater, M. Gimferrer, L. Cavallo, N. Villegas-Escobar, M. Gimferrer, A. Toro-Labbé, L. Cavallo, A. Poater; “Phenoxylation of Alkynes Through Mono‐ and Dual‐Activation using Group 11 (Cu, Ag, Au) Catalysts”; Eur. J. Inorg. Chem. 2020, 2020, 1123-1134. DOI: 10.1002/ejic.201901220; IF: 2.572, Q2

185*        J. A. Luque-Urrutia, A. Poater, M. Solà, “Do Carbon Nano-onions Behave as Nanoscopic Faraday Cages? A Comparison of the Reactivity of C60, C240, C60@C240, Li+@C60, Li+@C240, and Li+@C60@C240”; Chem. Eur. J. 2020, 26, 804-808. DOI: 10.1002/chem.201904650; IF: 5.160, Q1

184          N. B. Nechmad, R. Phatake, E. Ivry, A. Poater, N. G. Lemcoff; “Unprecedented Selectivity of Sulfur Chelated Ruthenium Iodide Benzylidenes in Olefin Metathesis Reactions”; Angew. Chem. Int. Ed. 2020, 59, 3539-3543. DOI: 10.1002/anie.201914667; IF: 12.257, D1

183*        M. Fallah, N. Bahri-Laleh, K. Didehban, A. Poater; “Interaction of common cocatalysts in Ziegler-Natta catalyzed olefin polymerization”; Appl. Organomet. Chem. 2020, e5333, DOI: 10.1002/aoc.5333; IF: 3.581, Q1

182*        J. A. Luque-Urrutia, M. Solà, A. Poater; “WOC Mechanism by a Ru(bda) catalyst switches with pH”; Catal. Today 2020, 358, 278-283. DOI: 10.1016/j.cattod.2019.12.005; IF: 4.888, Q1

181*        M. Gimferrer, P. Salvador, A. Poater; “Computational Monitoring of Oxidation States in Olefin Metathesis”; Organometallics 2019, 38, 4585-4592. DOI: 10.1021/acs.organomet.9b00591; IF = 4.100, Q1

180*        O. Sodpiban, S. Del Gobbo, S. Barman, V. Aomchad, P. Kidkhunthod, S. Ould-Chikh, A. Poater, V. D’Elia, J.-M. Basset; “Synthesis of Well-defined Yttrium-based Lewis Acids by Capture of a Reaction Intermediate and Catalytic Application for cycloaddition of CO2 to Epoxides Under Atmospheric Pressure”; Catal. Sci. Technol. 2019, 9, 6152-6165, DOI: 10.1039/c9cy01642b; IF: 5.726, Q1

179          L. Falivene, Z. Cao, A. Petta, L. Serra, A. Poater, R. Oliva, V. Scarano, L. Cavallo; “Towards the online computer-aided design of catalytic pockets”; Nat. Chem. 2019, 11, 872-879. DOI:10.1038/s41557-019-0319-5; IF: 23.193, D1

178*        L. M. Azofra, A. Poater; “Diastereoselective diazenyl formation: the key for manganese-catalysed alcohol conversion into (E)-alkenes”; Dalton Trans. 2019, 48, 14122-14127. DOI: 10.1039/C9DT03379C; IF: 4.052, Q1

177          Y. D. Bidal, C. A. Urbina-Blanco, A. Poater, D. B. Cordes, A. M. Z. Slawin, L. Cavallo, C. S. J. Cazin; “Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts”; Dalton Trans. 2019, 48, 11326-11337. DOI: 10.1039/C9DT01811E; IF: 4.052, Q1

176          L. M. Azofra, R. M. P. Veenboer, L. Falivene, S. V. C. Vummaleti, A. Poater, S. P. Nolan, L. Cavallo; “Quantifying electronic similarities between NHC-gold(I) complexes and their isolobal imidazolium precursors”; Phys. Chem. Chem. Phys. 2019, 21, 15615-15622. DOI: 10.1039/c9cp02844g; IF: 3.567, Q1

175*        S. Escayola, M. Callís, A. Poater, M. Solà; “Effect of Exocyclic Substituents and π-System Length on the Electronic Structure of Chichibabin Diradical(oid)s”; ACS Omega 2019, 4, 10845-10853. DOI: 10.1021/acsomega.9b00916; IF: 2.584, Q2

174*        A. Lator, Q. G. Gaillard, D. S. Mérel, J.-F. Lohier, S. Gaillard, A. Poater, J.-L. Renaud; ”Room-Temperature Chemoselective Reductive Alkylation of Amines Catalyzed by a Well-Defined Iron(II) Complex Using Hydrogen”; J. Org. Chem. 2019, 84, 6813-6829. DOI: 10.1021/acs.joc.9b00581; IF: 4.745, Q1

173          L. M. Azofra, N. Morlanés, A. Poater, M. K. Samantaray, B. Vidjayacoumar, K. Albahily, L. Cavallo, J.‐M. Basset; “Corrigendum: Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N2‐into‐NH3”; Angew. Chem. Int. Ed. 2019, 58, 6476-6476. DOI: 10.1002/anie.201810409; IF: 12.257, D1

172*        S. Dehghani, S. Sadjadi, N. Bahri-Laleh, M. Nekoomanesh-Haghighi, A. Poater; “Study of the effect of the ligand structure on the catalytic activity of Pd@ ligand decorated halloysite: combination of experimental and computational studies”; Appl. Organomet. Chem. 2019, 33, e4891. DOI: 10.1002/aoc.4891; IF: 3.259, Q1

171          N. Villegas-Escobar, A. Poater, M. Solà, H. F. Schaefer, III, A. Toro-Labbé; “Decomposition of the electronic activity in competing [5,6] and [6,6] cycloaddition reactions between C60 and cyclopentadiene”; Phys. Chem. Chem. Phys. 2019, 21, 5039-5048. DOI: 10.1039/C8CP07626J; IF: 3.567, Q1

170*        C. J. Richmond, S. Escayola, A. Poater; “Axial Ligand effects of Ru-BDA Complexes in the O-O Bond Formation via the I2M Bimolecular Mechanism in Water Oxidation Catalysis”; Eur. J. Inorg. Chem. 2019, 2101-2108. DOI: 10.1002/ejic.201801450; IF: 2.578, Q2

169*        J. A. Luque-Urrutia, M. Solà, D. Milstein, A. Poater; “Mechanism of the Manganese-Pincer Catalyzed Acceptorless Dehydrogenative Coupling of Nitriles and Alcohols”; J. Am. Chem. Soc. 2019, 141, 2398-2403. DOI:10.1021/jacs.8b11308; IF: 14.695, D1

168*        J. Masdemont, J. A. Luque-Urrutia, M. Gimferrer, D. Milstein, A. Poater; “Mechanism of Coupling of Alcohols and Amines to Generate Aldimines and H2 by a Pincer Manganese Catalyst”; ACS Catal. 2019, 9, 1662-1669. DOI:10.1021/acscatal.8b04175; IF: 12.221, D1

167*        F. A. Pasha, A. Poater, S. V. C. Vummaleti, T. de Bruin, J.-M. Basset, L. Cavallo; “Revisiting O–O Bond Formation through Outer‐Sphere Water Molecules versus Bimolecular Mechanisms in Water‐Oxidation Catalysis (WOC) by Cp*Ir Based Complexes”; Eur. J. Inorg. Chem. 2019, 2093-2100. DOI:10.1002/ejic.201800500; IF: 2.578, Q2

166*        P. Yingcharoen, C. Kongtes, S. Arayachukiat, K. Suvarnapunya, S. V. C. Vummaleti, S. Wannakao, L. Cavallo, A. Poater, V. D’Elia, “Assessing the pKa-Dependent Activity of Hydroxyl Hydrogen Bond Donors in the Organocatalyzed Cycloaddition of Carbon Dioxide to Epoxides: Experimental and Theoretical Study”; Adv. Synth. Catal. 2019, 361, 366-373. DOI: 10.1002/adsc.201801093; IF: 5.451, D1

165*        I. Abdellah, A. Poater, J.-F. Lohier, A.-C. Gaumont; “Au(I)-Catalyzed Hydroarylation of Alkenes with N,N-dialkylanilines: a Dual Gold Catalysis Concept”; Catal. Sci. Technol. 2018, 8, 6486-6492. DOI: 10.1039/c8cy01309h; IF: 5.726, Q1

164          L. M. Azofra, N. Morlanés, A. Poater, M. K. Samantaray, B. Vidjayacoumar, K. Albahily, L. Cavallo, J.‐M. Basset; “Single‐Site Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N2‐into‐NH3”; Angew. Chem. Int. Ed. 2018, 57, 15812-15816. DOI: 10.1002/anie.201810409; IF: 12.257, D1

163*        R. Dey, J. C. Mohandas, M. K. Samantaray, A. Hamieh, S. Kavitake, Y. Chen, E. Abou-Hamad, L. Cavallo, A. Poater, J.-M. Basset; “Synthesis and Characterization of Cationic Tetramethyl Tantalum(V) Complex”, Catalysts 2018, 8, 507. DOI: 10.3390/catal8110507; IF: 3.444, Q2

162*        M. Voccia, S. P. Nolan, L. Cavallo, A. Poater, “The Activity of Indenylidene Derivatives in Olefin Metathesis Catalysts”; Beilstein J. Org. Chem. 2018, 14, 2956-2963. DOI:10.3762/bjoc.14.275; IF: 2.595, Q2

161*        A. Lator, S. Gaillard, A. Poater, J.-L. Renaud; “Well-Defined Phosphine-Free Iron-Catalyzed N‑Ethylation and N-Methylation of Amines with Ethanol and Methanol”; Org. Lett. 2018, 20, 5985–5990. DOI: 10.1021/acs.orglett.8b02080; IF: 6.555, D1

160          J. P. Martínez, M. Vizuete, L. M. Arellano, A. Poater, F. M. Bickelhaupt, F. Langa, M. Solà; “Regioselectivity of the Pauson–Khand reaction in single-walled carbon nanotubes”, Nanoscale 2018, 10, 15078-15089. DOI: 10.1039/C8NR03480J; IF: 6.970, Q1

159          N. Bahri-Laleh, A. Hanifpour, S. A. Mirmohammadi, A. Poater, M. Nekoomanesh-Haghighi, G. Talarico, L. Cavallo; “Computational modeling of heterogeneous Ziegler-Natta catalysts for olefins polymerization“; Prog. Polym. Sci. 2018, 84, 89-114. DOI: 10.1002/chem.201800835; IF: 24.505, D1

158*        N. Bahri-Laleh, S. Sadjadi, A. Poater; “Pd immobilized on dendrimer decorated halloysite clay: computational and experimental study on the effect of dendrimer generation, Pd valance and incorporation of terminal functionality on the catalytic activity”; J. Colloid Interface Sci. 2018, 531, 421-432. DOI: 10.1016/j.jcis.2018.07.039; IF: 6.361, Q1

157          D. Listunov, C. Duhayon, A. Poater, S. Mazères, A. Saquet, V. Maraval, R. Chauvin; “Steric/π-electronic insulation of the carbo-benzene ring: dramatic effects of tert-butyl vs phenyl crowns on geometric, chromophoric, redox and magnetic properties”; Chem. Eur. J. 2018, 24, 10699-10710. DOI: 10.1002/chem.201800835; IF: 5.160, Q1

156*        O. F. Gonzalez-Belman, J. O. C. Jimenez-Halla, F. Nahra, C. S. J. Cazin, A. Poater; “The role of the metal in the dual-metal catalysed hydrophenoxylation of diphenylacetylene”; Catal. Sci. Technol. 2018, 8, 3638-3648. DOI: 10.1039/C8CY00510A; IF: 5.726, Q1

155*        G. Li, P. Lei, M. Szostak, E. Casals-Cruañas, A. Poater, L. Cavallo, S. P. Nolan; “Mechanistic Study of Suzuki–Miyaura Cross‐Coupling Reactions of Amides Mediated by [Pd(NHC)(allyl)Cl] Precatalysts”; ChemCatChem 2018, 10, 3096-3106. DOI: 10.1002/cctc.20 1800511; IF: 4.495, Q2

154*        J. McIntyre, I. Mayoral-Soler, P. Salvador, A. Poater, D. J. Nelson; “Insights into mechanism and selectivity in Ruthenium(II)-catalysed ortho-arylation reactions directed by Lewis basic groups”; Catal. Sci. Technol. 2018, 8, 3174-3182. DOI: 10.1039/c8cy00592c; IF: 5.726, Q1

153*        E. Naji-Rad, M. Gimferrer, N. Bahri-Laleh, M. Nekoomanesh-Haghighi, R. Jamjah, A. Poater; “Exploring Basic Components Effect on the Catalytic Efficiency of Chevron-Phillips Catalyst in Ethylene Trimerization”; Catalysts 2018, 8, 224. DOI: 10.3390/catal8060224; IF: 3.444, Q2

152*        J. Poater, M. Gimferrer, A. Poater; “Covalent and Ionic Capacity of MOFs To Sorb Small Gas Molecules”; Inorg. Chem. 2018, 57, 6981-6990. DOI: 10.1021/acs.inorgchem.8b00670; IF: 4.850, D1

151*        M. Gimferrer, Y. Minami, Y. Noguchi, T. Hiyama, A. Poater; “Monitoring of the Phosphine Role in the Mechanism of Palladium-Catalyzed Benzosilole Formation from Aryloxyethynyl Silanes”; Organometallics 2018, 37, 1456-1461. DOI: 10.1021/acs.organomet.8b00102; IF: 4.100, Q1

150          C. Zhu, C. Duhayon, B. Kauffmann, A. Poater, A. Saquet, V. Maraval, R. Chauvin; “Carbo-bi- and -ter-phenyls: ring carbo-mers of [n]OPEs”; Angew. Chem. Int. Ed. 2018, 57, 5640-5644. DOI: 10.1002/anie.201713411; IF: 12.257, D1

149*        A. Lator, S. Gaillard, A. Poater, J.-L. Renaud; “Iron-Catalyzed Chemoselective Reduction of a,b-Unsaturated Ketones”; Chem. Eur. J. 2018, 24, 5770-5774. DOI: 10.1002/chem.201800995; IF: 5.160, Q1

148          M. Chawla, A. Poater, P. Besalú-Sala, K. Kalra, R. Oliva, L. Cavallo; “Theoretical characterization of sulfur-to-selenium substitution in an emissive RNA alphabet: impact on H-bonding potential and photophysical properties”; Phys. Chem. Chem. Phys. 2018, 20, 7676-7685. DOI: 10.1039/C7CP07656H; IF: 3.567, Q1

147          A. Chatupheeraphat, H.-H. Liao, W. Srimontree, L. Guo, Y. Minenkov, A. Poater, L. Cavallo, M. Rueping; “Ligand-Controlled Chemoselective C(acyl)-O bond vs. C(aryl)-C bond Activation of Aromatic Esters in Nickel Catalyzed C(sp2)-C(sp3) Cross-Couplings”; J. Am. Chem. Soc. 2018, 140, 3724-3735. DOI:10.1021/jacs.7b12865; IF: 14.695, D1

146          V. Kumar, M. Chawla, L. Cavallo, A. Basit Wani, A. Manhas, S. Kaur, A. Poater, H. Chadar, N. Upadhyay; “Complexation of trichlorosalicylic acids by alkaline and first row transition metals as a switch for their antibacterial activity”; Inorg. Chim. Acta 2018, 469, 379-386. DOI: 10.1016/j.ica.2017.08.064; IF: 2.433, Q2

145*        J. A. Luque-Urrutia, M. Gimferrer, È. Casals-Cruañas, A. Poater; “In silico switch from second- to first-row transition metals in olefin metathesis: From Ru to Fe and from Rh to Co”; Catalysts 2017, 7, 389. DOI: 10.3390/catal7120389; IF: 3.444, Q2

144*        C. Seck, M. D. Mbaye, S. Coufourier, A. Lator, J.-F. Lohier, A. Poater, T. R. Ward, S. Gaillard, J.-L. Renaud; “Iron Transition Metal Frustrated Lewis Pair: from DFT to Application in Alkylation of Ketones”; ChemCatChem 2017, 9, 4410-4416. DOI: 10.1002/cctc.201701241; IF: 4.674, Q1

143*        J. A. Luque-Urrutia, A. Poater; “The Fundamental non Innocent Role of Water for the Hydrogenation of Nitrous Oxide by PNP pincer Ru-based catalysts”; Inorg. Chem. 2017, 56, 14383-14387. DOI: 10.1021/acs.inorgchem.7b02630; IF: 4.700, D1

142          M. Trose, F. Nahra, A. Poater, D. B. Cordes, A. M. Z. Slawin, L. Cavallo, C. S. J. Cazin; “Investigating the Structure and Reactivity of Azolyl-Based Copper(I)−NHC Complexes: The Role of the Anionic Ligand: Catalytic activity and mechanistic insights”; ACS Catal. 2017, 7, 8176-8183. DOI: 10.1021/acscatal.7b02737; IF: 11.384, D1

141*        S. Arayachukiat, P. Yingcharoen, S. V. C. Vummaleti, L. Cavallo, A. Poater, V. D’Elia; “Cycloaddition of CO2 to challenging N-tosyl aziridines using a halogen-free niobium complex: Catalytic activity and mechanistic insights”; Mol. Catal. 2017, 443, 280-285. DOI: 10.1016/j.mcat.2017.10.023; IF: 4.397, Q2

140*        L. Piola, J. A. Fernandez-Salas, F. Nahra, A. Poater, L. Cavallo, S. P. Nolan; “Ruthenium-catalysed decomposition of formic acid: Fuel cell and catalytic applications”; Mol. Catal. 2017, 440, 184–189. DOI: 10.1016/j.mcat.2017.06.021; IF: 4.397, Q2

139*        S. Kaur, V. Kumar, M. Chawla, L. Cavallo, A. Poater, N. Upadhyay; “Pesticides Curbing Soil Fertility: Effect of Complexation of Free Metal Ions”; Front. Chem. 2017, 5, 43. DOI: 10.3389/fchem.2017.00043; IF: 4.155, Q2

138          S. Arayachukiat, C. Kongtes, A. Barthel, S. V. C. Vummaleti, A. Poater, S. Wannakao, L. Cavallo, V. D’Elia; Ascorbic Acid as a Bifunctional Hydrogen Bond Donor for the Synthesis of Cyclic Carbonates from CO2 under Ambient Conditions”; ACS Sustainable Chem. Eng. 2017, 5, 6392-6397. DOI: 10.1021/acssuschemeng.7b01650; IF: 6.140, Q1

137*        È. Casals-Cruañas, O. F. González-Belman, P. Besalú-Sala, D. J. Nelson, A. Poater; “The preference for dual-gold(I) catalysis in the hydro(alkoxylation vs. phenoxylation) of alkynes”; Org. Biomol. Chem. 2017, 15, 6416-6425. DOI: 10.1039/c7ob01457k; IF: 3.423, Q1

136*        G. Magi Meconi, S. V. C. Vummaleti, J. A. Luque-Urrutia, P. Belanzoni, S. P. Nolan, H. Jacobsen, L. Cavallo, M. Solà, A. Poater; “Mechanism of the Suzuki–Miyaura Cross-Coupling Reaction Mediated by [Pd(NHC)(allyl)Cl] Precatalysts”; Organometallics 2017, 36, 2088-2095. DOI: 10.1021/acs.organomet.7b00114; IF: 4.051, Q1

135*        L. Arnedo, R. Chauvin, A. Poater; “Olefin metathesis with Ru-based catalysts exchanging the typical N-heterocyclic carbenes by a phosphine-phosphonium ylide”; Catalysts 2017, 7, 85. DOI:10.3390/catal7030085; IF: 3.465, Q2

134*        A. Polo, J. Duran, R. Juanola, J. Real, J. Benet-Buchholz, M. Solà, A. Poater; “Tuning Diasteroisomerism in platinum(II) phosphino- and aminothiolato hydrido complexes”; New J. Chem. 2017, 41, 3015-3028. DOI: 10.1039/C6NJ04042J; IF: 3.201, Q2

133*        A. Poater, S. V. C. Vummaleti, A. Polo, L. Cavallo; “Clean and selective catalytic C-H alkylation of alkenes with environmental friendly alcohols”; J. Mol. Catal. A Chem. 2017, 435, 69-75. DOI: 10.1016/j.molcata.2016.09.010; IF: 4.397, Q2

132          M. Gil-Sepulcre, J. C. Axelson, J. Aguiló, L. Solà-Hernández, L. Francàs, A. Poater, L. Blancafort, J. Benet-Buchholz, G. Guirado, L. Escriche, A. Llobet, R. Bofill, X. Sala; “Synthesis and Isomeric Analysis of RuII Complexes Bearing 2 Pentadentate Scaffolds”; Inorg. Chem. 2016, 55, 11216-11229. DOI: 10.1021/acs.inorgchem.6b01755; IF: 4.857, D1

131          M. Rouen, P. Queval, E. Borré, L. Falivene, A. Poater, M. Berthod, F. Hugues, L. Cavallo, O. Baslé, H. Olivier-Bourbigou, M. Mauduit; “Selective Metathesis of α-Olefins from Bio-Sourced Fischer–Tropsch Feeds”; ACS Catal. 2016, 6, 7970-7976. DOI: 10.1021/acscatal.6b01428; IF: 10.614, Q1

130*        A. Poater, S. V. C. Vummaleti, A. Polo, L. Cavallo; “Mechanistic Insights of a Selective C-H Alkylation of Alkenes by a Ru–based Catalyst and Alcohols”; ChemistrySelect 2016, 1, 4218-4228. DOI: 10.1002/slct.201600860

129          R. Dey, M. K. Samantaray, A. Poater, A. Hamieh, S. Kavitake, E. Abou-Hamad, E. Callens, A.-H. Emwas, L. Cavallo, J. M. Basset; “Synthesis and characterization of a homogeneous and silica supported homoleptic cationic tungsten(VI) methyl complex: application in olefin metathesis”; Chem. Commun. 2016, 52, 11270-11273. DOI: 10.1039/C6CC05352A; IF: 6.319, Q1

128          K. Cocq, N. Saffon-Merceron, A. Poater, V. Maraval, R. Chauvin, “Aromatic Rings and Aromatic Rods: Nonplanar Character of an Indeno-dehydro[14]annulene”, Synlett 2016, 27, 2105-2112. DOI: 10.1055/s-0035-1562720; IF: 2.151, Q2

127          L. Falivene, R. Credendino, A. Poater, A. Petta, L. Serra, R. Oliva, V. Scarano, L. Cavallo; “SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps“; Organometallics 2016, 35, 2286–2293. DOI: 10.1021/acs.organomet.6b00371; IF: 3.862, Q1

126          M. Chawla, A. Poater, R. Oliva, L. Cavallo; “Structural and energetic characterization of the emissive RNA alphabet based on the isothiazolo[4,3-d]pyrimidine heterocycle core“; Phys. Chem. Chem. Phys. 2016, 18, 18045-18053. DOI: 10.1039/C6CP03268K; IF: 4.123, D1

125          A. Bucci, G. Menendez Rodriguez, G. Bellachioma, C. Zuccaccia, A. Poater, L. Cavallo, A. Macchioni; “An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN)“; ACS Catal. 2016, 6, 4559-4563. DOI: 10.1021/acscatal.6b01325; IF=10.614, Q1

124*        P. Czerwinski, E. Molga, L. Cavallo, A. Poater, M. Michalak; “NHC–Copper(I) Halide-Catalyzed Direct Alkynylation of Trifluoromethyl Ketones on Water“; Chem. Eur. J. 2016, 22, 8089-8094. DOI: 10.1002/chem.201601581; IF: 5.317, Q1

123*        J. P. Martínez, S. V. C. Vummaleti, L. Falivene, S. P. Nolan, L. Cavallo, M. Solà, A. Poater; “In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60 Fullerenes“; Chem. Eur. J. 2016, 22, 6617-6623. DOI: 10.1002/chem.201600383; IF: 5.317, Q1

122*        A. Poater; “Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis“; Molecules 2016, 21, 177. DOI:10.3390/molecules21020177; IF: 2.861, Q2

121*        A. Poater; “Versatile deprotonated NHC: C,N-bridged dinuclear iridium and rhodium complexes“; Beilstein J. Org. Chem. 2016, 12, 117-124. DOI: 10.3762/bjoc.12.13; IF: 2.340, Q2

120*        J. Wappel, R. C. Fischer, L. Cavallo, C. Slugovc, A. Poater; “Simple activation by acid of latent Ru-NHC-based metathesis initiators bearing 8-quinolinolate co-ligands“; Beilstein J. Org. Chem. 2016, 12, 154-165. DOI: 10.3762/bjoc.12.17; IF: 2.340, Q2

119*        A. Gómez-Suárez, Y. Oonishi, A. R. Martin, S. V. C. Vummaleti, D. J. Nelson, D. B. Cordes, A. M. Z. Slawin, L. Cavallo, S. P. Nolan, A. Poater; “On the Mechanism of the Digold(I)-Hydroxide-Catalysed Hydrophenoxylation of Alkynes”; Chem. Eur. J. 2016, 22, 1125-1132. DOI: 10.1002/chem.201503097; IF: 5.317, Q1

118*        S. V. C. Vummaleti, S. P. Nolan, L. Cavallo, G. Talarico, A. Poater; “How easy is CO2 fixation by M–C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)?”, Org. Chem. Front. 2016, 3, 19-23. DOI: 10.1039/c5qo00281h; IF: 4.955, Q1

117*        F. Turias, J. Poater, R. Chauvin, A. Poater; “How carbo-benzenes fit molecules in their inner core as do biologic ion carriers?”; Struct. Chem. 2016, 27, 240-259. DOI:10.1007/s11224-015-0672-y; IF: 1.582, Q2

116*        F. Turias, M. Solà, L. Falivene, L. Cavallo, A. Poater; “Nitrite to nitric oxide interconversion by heme FeIII complex assisted by [CuI(tmpa)]+”; Struct. Chem. 2016, 27, 409-417. DOI:10.1007/s11224-015-0670-0; IF: 1.582, Q2

115*        L. Falivene, D. J. Nelson, S. Dupuy, S. P. Nolan, A. Poater, L. Cavallo; “Mechanism of the transmetalation of organosilanes to gold”; ChemistryOpen 2016, 5, 60-64. DOI:10.1002/open.201500172; IF: 2.918, Q2

114*        J. Duran, A. Polo, J. Real, J. Benet-Buchholz, M. Solà, A. Poater; “Structural Preferences in Phosphanylthiolato Platinum(II) Complexes”; ChemistryOpen 2016, 5, 51-59. DOI: 10.1002/open.201500136; IF: 2.918, Q2

113          E. Manrique, A. Poater, X. Fontrodona, M. Solà, M. Rodríguez, I. Romero; “Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions“; Dalton Trans. 2016, 45, 841-841. DOI: 10.1039/c5dt90220g; IF: 4.123, Q1

112          S. V. C. Vummaleti, M. Al-Ghamdi, A. Poater, L. Falivene, J. Scaranto, D. J. Beetstra, J. G. Morton, L, Cavallo; “Mechanism of intramolecular rhodium and palladium catalyzed alkene alkoxyfunctionalizations”; Organometallics 2015, 34, 5549-5554. DOI: 10.1021/acs.organomet.5b00749; IF: 4.186, Q1

111*        S. V. C. Vummaleti, S. P. Nolan, L. Cavallo, G. Talarico, A. Poater; “Mechanism of CO2 fixation by Ir–X Bonds (X = OH, OR, N, C)”; Eur. J. Inorg. Chem. 2015, 4653-4657. DOI: 10.1002/ejic.201500905; IF: 2.686, Q2

110          E. Manrique, A. Poater, X. Fontrodona, M. Solà, M. Rodríguez, I. Romero; “Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions“; Dalton Trans. 2015, 44, 17529-17543. DOI: 10.1039/C5DT02787J; IF: 4.177, Q1

109*        A. Poater, L. Cavallo; “A comprehensive study of olefin metathesis catalyzed by Ru-based catalysts”; Beilstein J. Org. Chem. 2015, 11, 1767-1780. DOI: 10.3762/bjoc.11.192; IF: 2.697, Q2

108          J. Aguiló, L. Francàs, R. Bofill, M. Gil-Sepulcre, J. Garcia-Anton, A. Poater, A. Llobet, L. Escriche, F. Meyer, X. Sala; “Powerful bis-facially pyrazolate-bridged dinuclear ruthenium epoxidation catalyst”; Inorg. Chem. 2015, 54, 6782-6791. DOI: 10.1021/acs.inorgchem.5b00641; IF=4.820; D1

107*        E. Pump, C. Slugovc, L. Cavallo, A. Poater; “Mechanism of the Ru−allenylidene to Ru−Indenylidene rearrangement in ruthenium precatalysts for olefin metathesis”; Organometallics 2015, 34, 3107-3111. DOI: 10.1021/om501246q; IF: 4.186, Q1

106*        J. P. Martínez, M. Solà, A. Poater; “On the reaction mechanism of the rhodium-catalyzed arylation of fullerene (C60) with organoboron compounds in the presence of water”; ChemistryOpen 2015, 4, 774-778. DOI: 10.1002/open.201500093; IF: 3.585, Q2

105*        T.-T. Thai, D. S. Mérel, A. Poater, S. Gaillard, J.-L. Renaud; “Highly active bifunctional iron complex for hydrogenation of bicarbonate and reductive amination”; Chem. Eur. J. 2015, 21, 7066-7070. DOI: 10.1002/chem.201500720; IF: 5.771, Q1

104*        V. D’Elia, H. Dong, A. Rossini, C. Widdifield, S. V. C. Vummaleti, Y. Minenkov, A. Poater, E. Abou-Hamad, J. Pelletier, L. Cavallo, L. Emsley, J. M. Basset; “Cooperative effect by monopodal surface niobium complexes enhancing cyclic carbonate production”; J. Am. Chem. Soc. 2015, 137, 7728-7739. DOI: 10.1021/jacs.5b02872; IF=13.038, D1

103          N. Riache, A. Dery, E. Callens, A. Poater, M. Samantaray, R. Dey, J. H. Hong, K. Lo, L. Cavallo, J. M. Basset; “Silica-supported tungsten carbynes (=SiO)(x)W(CH)(Me)(y) (x=1, y=2; x=2, y=1): new efficient catalysts for alkyne cyclotrimerization”; Organometallics 2015, 34, 690-695. DOI: 10.1021/om500684e; IF: 4.186, Q1

102*        S. V. C. Vummaleti, L. Cavallo, A. Poater; “The driving force role of ruthenacyclobutanes”; Theor. Chem. Acc. 2015, 134, 22-27. DOI: 10.1007/s00214-015-1622-x; IF: 1.806, Q3

101          S. Manzini, C. A. Urbina-Blanco, D. J. Nelson, A. Poater, T. Lebl, S. Meiries, A. M. Z. Slawin, L. Falivene, L. Cavallo, S. P. Nolan; “Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene”; J. Organomet. Chem. 2015, 780, 43-48. DOI: 10.1016/j.jorganchem.2014.12.040; IF: 2.336, Q2

100          R. Credendino, E. Vignola, A. Poater, E. Callens, J. M. Basset, L. Cavallo; “Fluxional behavior of molecular WMe6 and of silica grafted WMe6”; Organometallics 2015, 34, 663-668. DOI: 10.1021/om5013192; IF: 4.186, Q1

99            M. Chawla, R. Credendino, A. Poater, R. Oliva, L. Cavallo; “Structural stability, acidity, and halide selectivity of the fluoride riboswitch recognition site”; J. Am. Chem. Soc. 2015, 137, 299-306. DOI: 10.1021/ja510549b; IF=13.038, D1

98            S. V. C. Vummaleti, D. J. Nelson, A. Poater, A. Gómez-Suarez, D. B. Cordes, A. M. Z. Slawin, S. P. Nolan, L. Cavallo; “What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the pi-accepting abilities of N-heterocyclic carbenes?”; Chem. Sci. 2015, 6, 1895-1904. DOI: 10.1039/c4sc03264k; IF: 9.144, D1

97            C. J. Richmond, R. Matheu, A. Poater, L. Falivene, J. Benet-Buchholz, X. Sala, L. Cavallo, A. Llobet; “Supramolecular water oxidation with Ru–bda-based catalysts”; Chem. Eur. J. 2014, 20, 17282-17286. DOI: 10.1002/chem.201405144; IF: 5.731, Q1

96            L. Falivene, A. Poater, L. Cavallo; chapter 2: “Tuning and quantifying steric and electronic effects of N-heterocyclic carbenes” (p. 27-39); N-heterocyclic carbenes: effective tools for organometallic synthesis, Ed. S. P. Nolan, Wiley, 2014. ISBN 978-3527334902. DOI: 10.1002/9783527671229.ch02

95            N. Bahri-Laleh, A. Poater, L. Cavallo, S. A. Mirmohammadi; “Exploring the mechanism of Grignard metathesis polymerization of 3-alkylthiophenes”; Dalton Trans. 2014, 43, 15143-15150. DOI: 10.1039/c4dt01617c; IF: 4.097, Q1

94*          A. Poater, E. Pump, S. V. C. Vummaleti, L. Cavallo; “The right computational recipe for olefin metathesis with Ru-based catalysts: the whole mechanism of ring-closing olefin metathesis”; J. Chem. Theory Comput. 2014, 10, 4442-4448. DOI: 10.1021/ct5003863; IF=5.498, Q1

93            V. D’Elia, A. A. Ghani, A. Monassier, J. Sofack-Kreutzer, J. D. A. Pelletier, M. Drees, S. V. C. Vummaleti, A. Poater, L. Cavallo, M. Cokoja, J.-M. Basset, F. E. Kühn; “Dynamics of the NbCl5-catalyzed cycloaddition of propylene oxide and CO2: assessing the dual role of the nucleophilic Co-catalysts”; Chem. Eur. J. 2014, 20, 11870-11882. DOI: 10.1002/chem.201400324; IF: 4.794, D1

92*          A. Poater, E. Pump, S. V. C. Vummaleti, L. Cavallo; “The activation mechanism of Fe-based olefin metathesis catalysts”; Chem. Phys. Lett. 2014, 610-611, 29-32. DOI: 10.1016/j.cplett.2014.06.063; IF=1.897, Q3

91            S. Manzini, A. Poater, D. J. Nelson, L. Cavallo, A. M. Z. Slawin, S. P. Nolan; “Insights into the decomposition of olefin metathesis Pre-catalysts”; Angew. Chem. Int. Ed. 2014, 53, 8995-8999. DOI: 10.1002/anie.201403770; IF: 11.261, D1

90*          A. Poater, S. V. C. Vummaleti, L. Cavallo; “The “Innocent” role of Sc3+ on Non-Heme Fe catalyst in O2 environment”; Dalton Trans. 2014, 43, 11190-11194. DOI: 10.1039/c4dt00321g; IF: 4.097, Q1

89*          A. Poater, S. V. C. Vummaleti, E. Pump, L. Cavallo; “Comparing Ru and Fe-catalyzed olefin metathesis”; Dalton Trans. 2014, 43, 11216-11220. DOI: 10.1039/c4dt00325j; IF: 4.097, Q1

88            L. Francàs, R. González-Gil, A. Poater, X. Fontrodona, J. García-Antón, X. Sala, L. Escriche, A. Llobet; “Synthesis, characterization and linkage isomerism in mononuclear ruthenium complexes containing the new pyrazolate based ligand Hpbl”; Inorg. Chem. 2014, 53, 8025-8035. DOI: 10.1021/ic5009076; IF: 4.794, D1

87            A. Gómez-Suárez, D. Gasperini, S. V. C. Vummaleti, A. Poater, L. Cavallo, S. P. Nolan; “Highly Efficient and Eco-Friendly Gold-Catalyzed Synthesis of Homoallylic Ketones”, ACS Catal. 2014, 4, 2701-2705. DOI: 10.1021/cs500806m; IF=9.312, D1

86            E. Pump, A. Poater, M. Zirngast, A. Torvisco, R. Fischer, L. Cavallo, C. Slugovc; “Impact of electronic modification of the chelating benzylidene ligand in cis-dichloro configured 2nd generation Olefin Metathesis catalysts on their activity”; Organometallics 2014, 33, 2806-2813. DOI: 10.1021/om500315t; IF: 4.253, Q1

85*          A. Poater, A. Correa, E. Pump, L. Cavallo; “Cis/Trans Coordination in Olefin Metathesis by Static and Molecular Dynamic DFT Calculations”; Chem. Heter. Comp. 2014, 3, 424-430. DOI: 10.1007/s10593-014-1491-6; IF=0.621, Q4

84            S. V. C. Vummaleti, L. Falivene, A. Poater, L. Cavallo; “Deconstructing Selectivity in the Gold-Promoted Cyclization of Alkynyl Benzothioamides to Six-Membered Mesoionic Carbene or Acyclic Carbene Complexes”; ACS Catal. 2014, 4, 1287-1291. DOI: 10.1021/cs5001575; IF=9.312, D1

83*          C. Di Giovanni, A. Poater, J. Benet-Buchholz, L. Cavallo, M. Solà, A. Llobet; “Dinuclear Ru-aqua Complexes for Selective Epoxidation Catalysis based on Supramolecular Substrate Orientation Effects”; Chem. Eur. J. 2014, 20, 3898-3902. DOI: 10.1002/chem.201304699; IF: 5.731, Q1

82*          A. Poater; “Environmental friendly Fe substitutive of Ru in water oxidation catalysis”; Catal. Commun. 2014, 44, 2-5. DOI: 10.1016/j.catcom.2013.07.026; IF=3.699, Q2

81            S. Manzini, D. J. Nelson, T. Lebl, A. Poater, L. Cavallo, A. M. Z. Slawin, S. P. Nolan; “From ruthenium olefin metathesis catalyst to (eta(5)-3-phenylindenyl)hydrido complex via alcoholysis”; Chem. Commun. 2014, 50, 2205-2207. DOI: 10.1039/c3cc49481k; IF: 6.834, Q1

80            S. Manzini, A. Poater, D. J. Nelson, L. Cavallo, S. P. Nolan; “How phenyl makes a difference: mechanistic insights into the ruthenium(II)-catalysed isomerisation of allylic alcohols”; Chem. Sci. 2014, 5, 180-188. DOI: 10.1039/c3sc52612g; IF: 9.211, D1

79            A. Poater, L. Falivene, L. Cavallo; chapter 19: Theoretical attempts: “In silico olefin metathesis”—how can computers help in the understanding of metathesis mechanisms and in catalysts development? (p. 483-494); Olefin Metathesis: Theory and Practice, John Wiley & Sons, Inc, Ed. K. Grela, Wiley 2014. ISBN: 9781118207949. DOI: 10.1002/9781118711613

78*          S. Moulin, H. Dentel, A. Pagnoux-Ozherelyeva, S. Gaillard, A. Poater, L. Cavallo, J.-F. Lohier, J.-L. Renaud; “Bifunctional (Cyclopentadienone)Iron–Tricarbonyl Complexes: Synthesis, Computational Studies and Application in Reductive Amination”; Chem. Eur. J. 2013, 19, 17881-17890. DOI: 10.1002/chem.201302432; IF: 5.696, Q1

77            S. M. Ahmed, A. Poater, M. I. Childers, P. C. B. Widger, A. M. LaPointe, E. B. Lobkovsky, G. W. Coates, L. Cavallo; “Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study”; J. Am. Chem. Soc. 2013, 135, 18901-18911. DOI: 10.1021/ja409521z; IF: 11.444, D1

76*          A. Poater, S. V. C. Vummaleti, L. Cavallo; “Catalytic Role of Nickel in the Decarbonylative Addition of Phthalimides to Alkynes”; Organometallics 2013, 32, 6330-6336. DOI: 10.1021/om400693v; IF=4.253, D1

75*          A. Poater, L. Falivene, L. Cavallo, A. Llobet, M. Rodríguez, I. Romero, M. Solà; “Simple and cheap steric and electronic characterization of the reactivity of Ru(II) complexes containing oxazoline ligands as epoxidation catalysts”; Chem. Phys. Lett. 2013, 577, 142-146. DOI: 10.1016/j.cplett.2013.05.032; IF: 1.991, Q3

74*          A. Poater, R. Credendino, C. Slugovc, L. Cavallo; “Exploring new generations of ruthenium olefin metathesis catalysts: the reactivity of a bis-ylidene ruthenium complex by DFT”; Dalton Trans. 2013, 42, 7271-7275. DOI: 10.1039/c3dt32884h; IF=4.097, Q1

73            L. Falivene, A. Poater, C. S. J. Cazin, C. Slugovc, L. Cavallo; “Energetics of the ruthenium–halide bond in olefin metathesis (pre)catalysts”; Dalton Trans. 2013, 42, 7312-7317. DOI: 10.1039/c2dt32277c; IF=4.097, Q1

72*          A. Poater, L. Falivene, C. A. Urbina-Blanco, S. Manzini, S. P. Nolan, L. Cavallo; “How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis?”; Dalton Trans. 2013, 42, 7433-7439. DOI: 10.1039/c3dt32980a; IF=4.097, Q1

71            C. A. Urbina-Blanco, A. Poater, T. Lebl, S. Manzini, A. M. Z. Slawin, L. Cavallo, S. P. Nolan; “The Activation Mechanism of Ru−Indenylidene Complexes in Olefin Metathesis”; J. Am. Chem. Soc. 2013, 135, 7073-7079. DOI: 10.1021/ja402700p; IF: 11.444, D1

70            L. Vaquer, A. Poater, J. De Tovar, J. García-Antón, M. Solà, A. Llobet, X. Sala; “Ruthenium Complexes with Chiral bis-Pinene Ligands: an Array of Subtle Structural Diversity”; Inorg. Chem. 2013, 52, 4985-4992. DOI: 10.1021/ic302678b; IF=4.794, D1

69*          A. Poater, L. Cavallo; “Organometallic copper I, II or III species in an intramolecular dechlorination reaction”; Theor. Chem. Acc. 2013, 132, 1353-1358. DOI: 10.1007/s00214-013-1353-9; IF: 2.143, Q3

68            J. Broggi, V. Jurčík, O. Songis, A. Poater, L. Cavallo, A. M. Z. Slawin, C. S. J. Cazin; “The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N‑Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid”; J. Am. Chem. Soc. 2013, 135, 4588-4591. DOI: 10.1021/ja311087c; IF: 11.444, D1

67*          A. Poater, M. Solà; “Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper(I) complex”; Beilstein J. Org. Chem. 2013, 9, 585-593. DOI: 10.3762/bjoc.9.63; IF=2.820, Q2

66*          A. Poater, L. Cavallo; “Dancing multiplicity states supported by a carboxylated group in dicopper structures bonded to O2“; Theor. Chem. Acc. 2013, 132, 1336-1348. DOI: 10.1007/s00214-013-1336-x; IF: 2.143, Q3

65            J. Rich, M. Rodríguez, I. Romero, X. Fontrodona, P. W. N. M. van Leeuwen, Z. Freixa, X. Sala, A. Poater, M. Solà; “N-Tetradentate SPANamine Derivatives and Their MnII Complexes as Catalysts for Epoxidation of Alkenes”; Eur. J. Inorg. Chem. 2013, 1213-1224. DOI: 10.1002/ejic.201201154; IF=2.965, Q1

64*          A. Poater, L. Falivene, C. A. Urbina-Blanco, S. Manzini, S. P. Nolan, L. Cavallo; “Steric maps to evaluate the role of steric hindrance on the IPr NHC ligand”; Procedia Computer Science 2013, 18, 845-854. DOI: 10.1016/j.procs.2013.05.249

63            T. Rünzi, U. Tristschler, P. Roesle, I. Gottker-Schnetmann, H. M. Moller, L. Caporaso, A. Poater, L. Cavallo, S. Mecking; “Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts”; Organometallics 2012, 31, 8388-8406. DOI: 10.1021/om300969d; IF=4.145, Q1

62            X. Bantreil, A. Poater, C. A. Urbina-Blanco, Y. D. Bidal, L. Falivene, R. A. M. Randall, L. Cavallo, A. M. Z. Slawin, C. S. J. Cazin; “Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes”; Organometallics 2012, 31, 7415-7426. DOI: 10.1021/om300703p; IF=4.145, Q1

61*          A. Poater, A. Gallegos Saliner, L. Cavallo, M. Solà, A. P. Worth; “Tuning the Electronic Properties by Width and Length Modifications of Narrow-Diameter Carbon Nanotubes for Nanomedicine”; Curr. Med. Chem. 2012, 19, 5219-5225. DOI: 10.2174/092986712803530548; IF: 4.070, D1

60            A. Poater, L. Cavallo; “Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesis; Theor. Chem. Acc. 2012, 131, 1155-1160. DOI: 10.1007/s00214-012-1155-5; IF: 2.233, Q2

59            M. Baron, C. Tubaro, A. Biffis, M. Basato, C. Graiff, A. Poater, L. Cavallo, N. Armaroli, G. Accorsi; “Blue-emitting dinuclear N-heterocyclic dicarbene gold(I) complex featured by a remarkably high quantum yield”; Inorg. Chem. 2012, 51, 1778-1784. DOI: 10.1021/ic2020786; IF=4.593, D1

58            A. Lattanzi, C. De Fusco, A. Russo, A. Poater, L. Cavallo; “Hexafluorobenzene: a powerful solvent for a noncovalent stereoselective organocatalytic Michael addition reaction”; Chem. Commun. 2012, 48, 1650-1652. DOI: 10.1039/c2cc17488j; IF=6.378, Q1

57            M. Lamberti, G. C. Fortman, A. Poater, J. Broggi, A. M. Z. Slawin, L. Cavallo, S. P. Nolan; “Co-ordinatively unsaturated ruthenium complexes as efficient alkyne-azide cycloaddition catalysts: scope and mechanistic evidence”; Organometallics 2012, 31, 756-767. DOI: 10.1021/om2012425; IF=4.145, Q1

56            S. Manzini, C. A. Urbina-Blanco, A. Poater, A. M. Z. Slawin, L. Cavallo, S. P. Nolan; “From olefin metathesis catalyst to alcohol racemization catalyst in one step”; Angew. Chem. Int. Ed. 2012, 51, 1042-1045. DOI: 10.1002/anie.201106915; IF=13.734, D1

55            A. Leitgeb, M. Abbas, R. C. Fischer, A. Poater, L. Cavallo, C. Slugovc; “A latent ruthenium based olefin metathesis catalyst with a sterically demanding NHC ligand (pre)catalysts”; Catal. Sci. Technol. 2012, 2, 1640-1643. DOI: 10.1039/c2cy20311a; IF=4.760, Q1

54            A. S. K. Hashmi, A. M. Schuster, S. Gaillard, L. Cavallo, A. Poater, S. P. Nolan; “Selectivity switch in the synthesis of vinylgold(I) intermediates”; Organometallics 2011, 30, 6328-6337. DOI: 10.1021/om2009556; IF=3.963, Q1

53            A. Poater, F. Ragone, A. Correa, L. Cavallo; “Comparison of different ruthenium–alkylidene bonds in the activation step with N-heterocyclic carbene Ru-catalysts for olefins metathesis”; Dalton Trans. 2011, 40, 11066-11069. DOI: 10.1039/c1dt10959f; IF=3.838, Q1

52            C. Samojłowicz, M. Bieniek, A. Pazio, A. Makal, K. Woźniak, A. Poater, L. Cavallo, J. Wójcik, K. Zdanowski, K. Grela; “The doping effect of fluorinated aromatic solvent on the rate of ruthenium catalysed olefin metathesis”; Chem. Eur. J. 2011, 17, 12981-12993. DOI: 10.1002/chem.201100160; IF=5.925, Q1

51            I. Serrano, M. I. López, I. Ferrer, A. Poater, T. Parella, X. Fontrodona, M. Solà, A. Llobet, M. Rodríguez, I. Romero; “New Ru(II) complexes containing oxazoline ligands as epoxidation catalysts. Influence of the substituents on the catalytic performance”; Inorg. Chem. 2011, 50, 6044-6054. DOI: 10.1021/ic200053f; IF=4.601, D1

50            A. Poater, N. Bahri-Lalehah, L. Cavallo; “Rationalizing current strategies to protect N-heterocyclic carbene-based ruthenium catalysts active in olefin metathesis from C-H (de)activation”; Chem. Commun. 2011, 47, 6674-6676. DOI: 10.1039/c1cc11594d; IF: 6.159, Q1

49            R. S. Ramón, S. Gaillard, A. Poater, L. Cavallo, A. M. Z. Slawin, S. P. Nolan; “[{Au(IPr)}2(μ-OH)]X complexes: synthetic, structural and catalytic studies”; Chem. Eur. J. 2011, 17, 1238-1246. DOI: 10.1002/chem.201002607; IF=5.925, Q1

48            P. Nun, S. Gaillard, A. Poater, L. Cavallo, S. P. Nolan; “A combined mechanistic and computational study of the gold(I)-catalyzed formation of substituted indenes”; Org. Biomol. Chem. 2011, 9, 101-104. DOI: 10.1039/c0ob00758g; IF=3.696, Q1

47*          A. Poater, F. Ragone, M. Garrido, S. Pérez, M. Poch, A. Correa, L. Cavallo; “Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesis”; Procedia Computer Science 2011, 4, 1222-1229. DOI: 10.1016/j.procs.2011.04.131

46            P. Nun, S. Dupuy, S. Gaillard, A. Poater, L. Cavallo, S. P. Nolan; “Gold(I)-catalyzed synthesis of furans and pyrroles via alkyne hydration”; Catal. Sci. Technol. 2011, 1, 58-61. DOI: 10.1039/c0cy00055h; IF = 3.753; Q1

45            R. Credendino, A. Poater, F. Ragone, L. Cavallo; “A computational perspective of olefins metathesis catalyzed by N-heterocyclic carbene ruthenium (pre) catalysts”; Catal. Sci. Technol. 2011, 1, 1287-1297. DOI: 10.1039/c1cy00052g; IF=3.753, Q1

44            R. Mariz, A. Poater, M. Gatti, E. Drinkel, J. J. Bürgi, X. Luan, S. Blumentritt, A. Linden, L. Cavallo, R. Dorta; “C2-Symmetric Chiral Disulfoxide Ligands in Rhodium-Catalyzed 1,4-Addition: From Ligand Synthesis to the Enantioselection Pathway”; Chem. Eur. J. 2010, 16, 14335-14347. DOI: 10.1002/chem.201001749; IF=5.476, Q1

43            A. Poater, F. Ragone, R. Mariz, R. Dorta, L. Cavallo; “Comparing the Enantioselective Power of Steric and Electrostatic Effects in Transition-Metal-Catalyzed Asymmetric Synthesis; Chem. Eur. J. 2010, 16, 14348-14353. DOI: 10.1002/chem.201001938; IF=5.476, Q1

42            A. Poater, F. Ragone, A. Correa, A. Szadkowska, M. Barbasiewicz, K. Grela, L. Cavallo; “Mechanistic Insights into the cis–trans Isomerization of Ruthenium Complexes Relevant to Catalysis of Olefin Metathesis”; Chem. Eur. J. 2010, 16, 14354-14364. DOI: 10.1002/chem.201001849; IF=5.476, Q1

41            G. C. Fortman, A. Poater, J. W. Levell, S. Gaillard, A. M. Z. Slawin, I. D. W. Samuel, L. Cavallo, S. P. Nolan; “A versatile gold synthon for acetylene C-H bond activation”; Dalton Trans. 2010, 39, 10382-10390. DOI: 10.1039/c0dt00276c; IF=3.647, Q1

40            A. Casitas, A. Poater, M. Solà, S. S. Stahl, M. Costas, X. Ribas; “Molecular mechanism of acid-triggered aryl-halide reductive elimination in well-defined aryl-Cu-III-halide species”; Dalton Trans. 2010, 39, 10458-10463. DOI: 10.1039/c0dt00284d; IF=3.647, Q1

39            J. Bosson, A. Poater, L. Cavallo, S. P. Nolan; “Mechanism of Racemization of Chiral Alcohols Mediated by 16-Electron Ruthenium Complexes”; J. Am. Chem. Soc. 2010, 132, 13146-13149. DOI: 10.1021/ja104961s; IF=9.023, D1

38            X. Ribas, C. Calle, A. Poater, A. Casitas, L. Gómez, R. Xifra, T. Parella, J. Benet-Buchholz, A. Schweiger, G. Mitrikas, M. Solà, A. Llobet, T. D. P. Stack; “Facile C-H Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C-H ··· Cu-II Interaction”; J. Am. Chem. Soc. 2010, 132, 12299-12306. DOI: 10.1021/ja101599e; IF=9.023, D1

37            A. Poater, L. Cavallo; “Mechanistic Insights into the Double C-H (De)Activation Route of a Ru-based Olefin Metathesis Catalyst”; J. Mol. Catal. A Chem. 2010, 324, 75-79. DOI: 10.1016/j.molcata.2010.02.023; IF=2.872, Q2

36            F. Ragone, A. Poater, L. Cavallo; “Flexibility of N-Heterocyclic Carbene Ligands in Ru-Complexes Relevant to Olefin Metathesis and Their Impact in the First Coordination Sphere of the Metal”; J. Am. Chem. Soc. 2010, 132, 4249-4258. DOI: 10.1021/ja909441x; IF=9.023, D1

35*          A. Poater, A. Gallegos Saliner, M. Solà, L. Cavallo, A. P. Worth; “Computational Methods to Predict the Reactivity of Nanoparticles Through Structure-Property Relationships; Expert Opin. Drug Deliv. 2010, 7, 295-305. DOI: 10.1517/17425240903508756; IF: 4.482, Q1

34            A. Poater, L. Cavallo; “Probing the Mechanism of the Double C-H (De)Activation Route of a Ru-based Olefin Metathesis Catalyst (NATO Science for Peace and Security Series A: Chemistry and Biology)”; book chapter in NATO ASI Science Series book, Springer Publishing House, vol. II, 275-280, 2010. ISBN 978-90-481-3433-5. DOI: 10.1007/978-90-481-3433-5_16

33            A. Correa, A. Poater, F. Ragone, L. Cavallo; “A Comparison of the Performance of the Semiempirical PM6 method versus DFT methods in Ru-Catalyzed olefin metathesis (NATO Science for Peace and Security Series A: Chemistry and Biology)”; book chapter in NATO ASI Science Series book, Springer Publishing House, vol. II, 281-292, 2010. ISBN 978-90-481-3433-5. DOI: 10.1007/978-90-481-3433-5_17

32            A. Poater, L. Cavallo; “Comparing families of olefin polymerization precatalysts using the percentage of buried volume”; Dalton Trans. 2009, 8878-8883. DOI: 10.1039/b910036a; IF=4.081, Q1

31            H. Jacobsen, A. Correa, A. Poater, C. Costabile, L. Cavallo; “Understanding the M (NHC) (NHC = N-heterocyclic carbene) bond (vol 253, pg 687, 2009-ERRATUM)”; Coord. Chem. Rev. 2009, 253, 2784-2784. DOI: 10.1016/j.ccr.2009.04.007; IF=11.225, D1

30*          A. Poater; “Oxidation of Copper(I) Hexaaza Macrocyclic Dinuclear Complexes”; J. Phys. Chem. A 2009, 31, 9030-9040. DOI: 10.1021/jp9040716; IF=2.899, Q1

29            A. Poater, F. Ragone, A. Correa, L. Cavallo; “Exploring the Reactivity of Ru-Based Metathesis Catalysts with a p-Acid Ligand Trans to the Ru-ylidene Bond”; J. Am. Chem. Soc. 2009, 131, 9000-9006. DOI: 10.1021/ja902552m; IF=8.580, D1

28*          A. Poater, L. Cavallo; “Probing the Mechanism of O2 Activation by a Copper(I) Biomimetic Complex of a C-H Hydroxylating Copper-Monooxygenase”; Inorg. Chem. 2009, 48, 4062-4066. DOI: 10.1021/ic802269v; IF=4.657, D1

27            A. Poater, B. Cosenza, A. Correa, S. Giudice, F. Ragone, V. Scarano, L. Cavallo; “SambVca: A Web Application for the Calculation of Buried Volumes of N-Heterocyclic Carbene Ligands”; Eur. J. Inorg. Chem. 2009, 1759-1766. DOI: 10.1002/ejic.200801160; IF=2.941, Q1

26            A. Poater, L. Cavallo; “Simple Ligand Modifications as Key to Play with the Stability of Cu(I), Cu(II) and of Cu(III)-Organometallic Complexes”; Inorg. Chem. 2009, 48, 2340-2342. DOI: 10.1021/ic8020063; IF=4.657, D1

25            H. Jacobsen, A. Correa, A. Poater, C. Costabile, L. Cavallo; “Understanding the M (NHC) (NHC = N-heterocyclic carbene) bond”; Coord. Chem. Rev. 2009, 253, 687-703. DOI: 10.1016/j.ccr.2008.06.006; IF=11.225, D1

24*          A. Poater, A. Garriga; “Tourism in European cities: insight into the dynamics of weekend hotel accommodation”; Tour. Econ. 2009, 15, 41-86. DOI: 10.5367/000000009787536744; IF=0.614, Q3

23*          A. Poater, A. Gallegos, R. Carbó-Dorca, J. Poater, M. Solà, L. Cavallo, A. P. Worth; “Modelling the structure-property relationships of nanoneedles: a journey towards nanomedicine”; J. Comput. Chem. 2009, 30, 275-284. DOI: 10.1002/jcc.21041; IF=3.769, Q1

22            A. Poater, X. Ribas, A. Llobet, L. Cavallo, M. Solà; “Complete Mechanism of s* Intramolecular Aromatic Hydroxylation through O2 Activation by a Macrocyclic Dicopper(I) Complex”; J. Am. Chem. Soc. 2008, 130, 17710-17717. DOI: 10.1021/ja801913b; IF=8.091, D1

21            A. Gallegos Saliner, A. Poater, N. Jeliazkova, G. Patlewicz, A. P. Worth; “Toxmatch – An activity Prediction Tool based on Similarity Measures”; Regul. Toxicol. Pharm. 2008, 52, 77-84. DOI: 10.1016/j.yrtph.2008.05.012; IF=2.353, Q1

20            A. Gallegos Saliner, A. Poater, A. P. Worth; “Toward in silico approaches for investigating the activity of nanoparticles in therapeutic development”; IDRUGS 2008, 11, 728-732; IF=1.547, Q3

19            X. Sala, I. Romero, M. Rodríguez, A. Poater, A. Llobet, A. Von Zelewsky, T. Parella, X. Fontrodona, M. Solà; “New Ruthenium(II) complexes with enantiomerically pure bis- and tris(pinene)-fused tridentate ligands. Synthesis, characterization and stereoisomeric analysis”; Inorg. Chem. 2008, 47, 8016-8024. DOI: 10.1021/ic800252f; IF=4.147, D1

18            A. Poater, F. Ragone, S. Giudice, C. Costabile, R. Dorta, S. P. Nolan, L. Cavallo; “Thermodynamics of N-heterocyclic carbene dimerization: The balance of sterics and electronics”; Organometallics 2008, 27, 2679-2681. DOI: 10.1021/om8001119; IF=3.815, D1

17*          A. Poater, J. Mola, A. Gallegos Saliner, I. Romero, M. Rodríguez, A. Llobet, M. Solà; “Mechanistic Theoretical Insight of Ru(II) Catalysts with a Meridional-Facial Bpea Fashion Competition”; Chem. Phys. Lett. 2008, 458, 200-204. DOI: 10.1016/j.cplett.2008.04.110; IF=2.169, Q2

16            X. Luan, R. Mariz, M. Gatti, C. Costabile, A. Poater, L. Cavallo, A. Linden, R. Dorta; “Identification and characterization of a new family of catalytically highly active imidazolin-2-ylidenes”; J. Am. Chem. Soc. 2008, 130, 6848-6858. DOI: 10.1021/ja800861p; IF=8.091, D1

15            J. Mola, I. Romero, M. Rodríguez, F. Bozoglian, A. Poater, M. Solà, T. Parella, J. Benet-Buchholz, X. Fontrodona, A. Llobet; “Mechanistic Insights into the Chemistry of Ru(II) Complexes Containing Cl and Dmso Ligands”; Inorg. Chem. 2007, 46, 10707-10716. DOI: 10.1021/ic701421w; IF=4.123, D1

14            A. Poater, X. Solans-Monfort, E. Clot, C. Copéret, O. Eisenstein; “Understanding d0-Olefin Metathesis Catalysts: Which Metal? Which Ligands?”; J. Am. Chem. Soc. 2007, 129, 8207-8216. DOI: 10.1021/ja070625y; IF=7.885, D1

13            A. Company, L. Gómez, R. Mas-Ballesté, I. V. Korendovych, X. Ribas, A. Poater, T. Parella, X. Fontrodona, J. Benet-Buchholz, M. Solà, L. Que Jr., E. Rybak-Akimova, M. Costas; “Fast O2 Binding at Dicopper Complexes Containing Schiff Base Dinucleating Ligands”; Inorg. Chem. 2007, 46, 4997-5012. DOI: 10.1021/ic0701108; IF=4.123, D1

12            J. Mola, I. Romero, M. Rodríguez, A. Llobet, T. Parella, J. Benet-Buchholz, A. Poater, M. Duran, M. Solà; “New Ru Complexes Containing the N-tridentate “Bpea” and Phosphine Ligands: the Consequences of the Meridional vs. the Facial Geometry”; Inorg. Chem. 2006, 45, 10520-10529. DOI: 10.1021/ic061126l; IF=3.911, D1

11            A. Company, D. Lamata, A. Poater, M. Solà, E. Rybak-Akimova, L. Que Jr., X. Fontrodona, T. Parella, A. Llobet, M. Costas; “O2 Chemistry of dicopper complexes with alkyltriamine ligands. Comparing synergestic effects on O2 binding”; Inorg. Chem. 2006, 45, 5239-5241. DOI: 10.1021/ic0602446; IF=3.911, D1

10            A. Poater, X. Solans-Monfort, E. Clot, C. Copéret, O. Eisenstein; “DFT calculations of d0 M(NR)(CHtBu)(X)(Y) (M =Mo, W; R = CPh3, 2,6-iPr–C6H3; X and Y = CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties”; Dalton Trans. 2006, 3077-3087. DOI: 10.1039/b604481f; IF=3.012, Q1

9              M. Costas, X. Ribas, A. Poater, J. M. López-Valbuena, R. Xifra, A. Company, M. Duran, M. Solà, A. Llobet, M. Corbella, M. A. Usón, J. Mahía, X. Solans, X. Shan, J. Benet-Buchholz; “Copper(II) Hexaaza Macrocyclic Binuclear Complexes Obtained from the Reaction of Their Copper(I) Derivates and Molecular Dioxygen”; Inorg. Chem. 2006, 45, 3569-3581. DOI: 10.1021/ic051800j; IF=3.911, D1

8              X. Ribas, R. Xifra, T. Parella, A. Poater, M. Solà, A. Llobet; “Regiospecific C-H Activation: Reversible H/D Exchange Promoted by Cu(I) Complexes with Triazamacrocyclic Ligands”; Angew. Chem. Int. Ed. 2006, 45, 2941-2944. DOI: 10.1002/anie.200504222; IF=10.332, D1

7              A. Poater, M. Duran, P. Jaque, A. Toro-Labbé, M. Solà; “Molecular Structure and Bonding of Copper Cluster Monocarbonyls CunCO (n = 1-9)”; J. Phys. Chem. B 2006, 110, 6526-6536. DOI: 10.1021/jp054690a; IF=4.115, Q1

6              X. Sala, E. Plantalech, I. Romero, M. Rodríguez, A. Llobet, A. Poater, M. Duran, M. Solà, S. Jansat, M. Gómez, G. Muller, T. Parella, H. Stoeckli-Evans, J. Benet-Buchholz; “Atropisomeric Discrimination in New RuII Complexes Containing the C2-Symmetric Didentate Chiral Phenyl-1,2-bisoxazolinic Ligand”; Chem. Eur. J. 2006, 12, 2798-2807. DOI: 10.1002/chem.200500796; IF=5.015, D1

5              A. Poater, S. Moradell, E. Pinilla, J. Poater, M. Solà, M. A. Martínez, A. Llobet; “A trinuclear Pt(II) compound with short Pt–Pt–Pt contacts. An analysis of the influence of p–p stacking interactions on the strength and length of the Pt–Pt bond”; Dalton Trans. 2006, 1188-1196. DOI: 10.1039/b511625m; IF=3.012, Q1

4              R. Xifra, X. Ribas, A. Llobet, A. Poater, M. Duran, M. Solà, T. D. P. Stack, J. Benet-Buchholz, B. Donnadieu, J. Mahía, T. Parella; “Fine Tuning Electronic Properties of Highly Stable Cu(III) Complexes Containing Monoanionic Macrocyclic Ligands”; Chem. Eur. J. 2005, 11, 5146-5156. DOI: 10.1002/chem.200500088; IF=4.907, D1

3              N. Martín, M. Altable, S. Filippone, A. Martín-Domenech, A. Poater, M. Solà; “Regioselective Intramolecular Pauson-Khand Reaction on C60: An Electrochemical Study and Theoretical Underpinning”; Chem. Eur. J. 2005, 11, 2716-2729. DOI: 10.1002/chem.200401200; IF=4.907, D1

2              X. Sala, A. Poater, I. Romero, M. Rodríguez, A. Llobet, X. Solans, T. Parella, T. M. Santos; “Synthesis, Structure, and Redox Properties of a New Aqua Ruthenium Complex Containing the Tridentate [9]aneS3 and the Didentate 1,10-Phenanthroline Ligands”; Eur. J. Inorg. Chem. 2004, 3, 612-618. DOI: 10.1002/ejic.200300137; IF=2.336, Q1

1              J. Duran, A. Polo, J. Real, J. Benet-Buchholz, A. Poater, M. Solà; “Stereodiscrimination in Phosphinothiolato Nickel(II) Complexes”; Eur. J. Inorg. Chem. 2003, 23, 4147-4151. DOI: 10.1002/ejic.200300508; IF=2.482, Q1

 

Publications in congresses

*Isi Web Of Knowledge (12/04/2015)

29            A. Poater, L. Cavallo, “O-O bond formation in woc by iridium complexes”; Abstracts of Papers of the American Chemical Society; INOR 1065, March 2016

28            A. Poater, S. Vummaleti, L. Falivene, “On the mechanism of the dual metal catalysis”; Abstracts of Papers of the American Chemical Society; INOR 1303, March 2016

27            A. Poater, R. Chauvin, “New generations of olefin metathesis catalysts”; Abstracts of Papers of the American Chemical Society; CATL 132, March 2016

26            A. Poater, “Dual gold catalysis to functionalize alkynes”; Abstracts of Papers of the American Chemical Society; CATL 252, March 2016

25            A. Poater, M. Michalak, “Sterical index to predict the reactivity of alkynes”; Abstracts of Papers of the American Chemical Society; CATL 288, March 2016

24            A. Poater, M. Solà, J. Martínez, “Reaction mechanism of the rhodium-catalyzed arylation of fullerene with organoboron compounds in water”; Abstracts of Papers of the American Chemical Society; INOR 341, March 2016

23            A. Poater, J. Martínez, “Reaction mechanism of the rhodium-catalyzed arylation of fullerene with organoboron compounds in water”; Abstracts of Papers of the American Chemical Society; CARB 51, March 2016

22            A. Poater, “Computational challenges in olefin metathesis”; Abstracts of Papers of the American Chemical Society; ORGN  301, August 2015

21            A. Poater, S. Vummaleti, L. Cavallo, S. P. Nolan, “Hydrophenoxylation of alkynes by cooperative gold catalysis”; Abstracts of Papers of the American Chemical Society; CATL  330, August 2015

20            S. Vummaleti, l. Falivene, A. Poater, L. Cavallo, “Oxidative addition of aryl chloride to mono ligated and bi-ligated linear/bent AuI and Pd0 complexes”; Abstracts of Papers of the American Chemical Society; CATL  327, August 2015

19            M. Alghamdi, L. Cavallo, A. Poater, L. Falivene, “Mechanism of intramolecular rhodium and palladium catalyzed alkene alkoxyfunctionalizations”; Abstracts of Papers of the American Chemical Society; CATL  228, August 2015

18            A. Poater, J. P. Martínez, M. Solà; “How to get selective organo(hydro)fullerenes through Rh/organoboron combination”; Abstracts of Papers of the American Chemical Society; ORGN-68; March 2015

17            A. Poater, “Innocent role of Sc3+ on a non-heme Fe catalyst in an O2 environment”; Abstracts of Papers of the American Chemical Society; INOR-867; March 2015

16            A. Poater, “Comparing Ru and first row transition metal-catalyzed olefin metathesis”; Abstracts of Papers of the American Chemical Society; INOR-774; March 2015

15            A. Poater, S. P. Nolan, D. J. Nelson, S. Manzini, C. A. Urbina-Blanco, L. Falivene, S. V. C. Vummaleti, L. Cavallo; “Computational hints in olefin metathesis”; INOR-155; August 10 2014

14            A. Poater, L. Cavallo, E. Pump, S. V. C. Vummaleti; “Computational hints in Fe-based catalysts”; PHYS-608; August 10 2014

13            A. Poater, M. Solà; “Complete s* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper(I) complex”; Abstracts of Papers of the American Chemical Society; INOR-1255; April 11 2013

12            A. Poater, L. Cavallo; “Mechanistic insights into the reaction pathways of olefin metathesis catalysts, calculations fit experimental data?”; Abstracts of Papers of the American Chemical Society; INOR-1050; April 10 2013

11            A. Poater, L. Cavallo; “Activation mechanism of Ru-indenylidene complexes in olefin metathesis”; Abstracts of Papers of the American Chemical Society; INOR-1049; April 10 2013

10            A. Poater, M. Solà, A. Llobet, L. Cavallo; “Is water a source of energy?”; Abstracts of Papers of the American Chemical Society; PHYS-363; April 10 2013

9              A. Poater, A. Gallegos-Saliner, L. Cavallo, M. Solà, A. P. Worth; “Electronic properties of CNNs: A journey toward nanomedicine”; Abstracts of Papers of the American Chemical Society; MEDI-123; April 7 2013

8              A. Poater, L. Cavallo; “Mechanism of epoxide polymerization by bimetallic Co-salen catalysts”; Abstracts of Papers of the American Chemical Society; INOR-106; April 7 2013

7              A. Poater, L. Cavallo; “Organometallic copper I, II or III species in an intramolecular dechlorination reaction”; 8th Congress on Electronic Structure – Principles and Applications (ESPA): Highlights in Theoretical Chemistry; vol 5, 105-110; June 26-29 2012

6              A. Poater, L. Cavallo; “Dancing multiplicity states supported by a carboxylated group in dicopper structures bonded to O2”; 8th Congress on Electronic Structure – Principles and Applications (ESPA): Highlights in Theoretical Chemistry; vol 5, 143-155; June 26-29 2012

5              A. Poater, L. Cavallo; “Computational mechanistic insights of Ru-NHC olefin metathesis catalysts”; Abstracts of Papers of the American Chemical Society; INOR-600; August 22 2012

4              A. Poater, L. Cavallo; “Deactivation of Ru based olefin metathesis catalysts”; Abstracts of Papers of the American Chemical Society; COMP-237; August 21 2012

3              R. Mariz, X. J. Luan, M. Gatti, E. Drinkel, J. J. Burgi, LL. Wu, F. Gaggia, S. Blumentritt, A. Linden, C. Costabile, L. Cavallo, A. Poater, R. Dorta; “New carbon- and sulfur-based ligands in late-transition metal catalysis”; Abstracts of Papers of the American Chemical Society; 344-ORGN; August 28 2011

2              O. Eisenstein, X. Solans-Monfort, A. Poater, J. S. Filhol, E. Clot, C. Coperet; “D0 olefin metathesis catalysts: Recipes for an efficient catalyst from a DFT perspective”; Abstracts of Papers of the American Chemical Society; INOR 533; September 12 2006

1              A. Poater; “D0 olefin metathesis catalysts: Recipes for an efficient catalyst from a DFT perspective”; Faraday Discuss. 2003, 124, 288

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