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Results: 777

Josep Duran, Alfonso Polo, Julio Real, Jordi Benet-Buchholz, Miquel Solà, Albert Poater
Structural Preferences in Phosphanylthiolato Platinum(II) Complexes
ChemistryOpen, 2016, 5, 51-59
DOI: 10.1002/open.201500136

Laura Falivene, David J. Nelson, Stéphanie Dupuy, Steven P. Nolan, Albert Poater, Luigi Cavallo
Mechanism of the Transmetalation of Organosilanes to Gold
ChemistryOpen, 2016, 5, 60-64
DOI: 10.1002/open.201500172

Albert Poater, Sai Vikrama Chaitanya Vummaleti, Alfonso Polo, Luigi 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

Àlex Pericas, Rubén Jiménez, Albert Granados, Alexandr Shafir, Adelina Vallribera, Anna Roglans, Elies Molins
Lanthanides-pybox: An Excellent Combination for Highly Enantioselective Electrophilic α-Amination of Acyclic β-Keto Esters. Isolation of Ternary Pybox/Ln/β-Keto Ester Complexes
ChemistrySelect, 2016, 1, 4305-4312
DOI: 10.1002/slct.201600820

Marcos Gil-Sepulcre, Jordan C. Axelson, Joan Aguiló, Lluís Solà-Hernández, Laia Francàs, Albert Poater, Lluís Blancafort, Jordi Benet-Buchholz, Gonzalo Guirado, Lluís Escriche, Antoni Llobet, Roger Bofill, Xavier Sala
Synthesis and Isomeric Analysis of RuII Complexes Bearing Pentadentate Scaffolds
Inorg. Chem. , 2016, 55, 11216-11229
DOI: 10.1021/acs.inorgchem.6b01755
Keywords: Light-driven synthesis, Excited states

Oriol Planas, Christopher J. Whiteoak, Vlad Martin-Diaconescu, Ilaria Gamba, Josep M. Luis, Teodor Parella, Anna Company, Xavi Ribas
Isolation of Key Organometallic Aryl-Co(III) Intermediates in Co-Catalyzed C(sp2)-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms
J. Am. Chem. Soc., 2016, 138, 14388–14397
DOI: 10.1021/jacs.6b08593

David Lauvergnat, Josep M. Luis, Bernard Kirtman, Heribert Reis, André Nauts
Numerical and exact kinetic energy operator using Eckart conditions with one or several reference geometries: Application to HONO
J. Chem. Phys., 2016, 144, 084116
DOI: 10.1063/1.4942172

Sergei F. Vyboishchikov
Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms
J. Comp. Chem., 2016, 37, 2677-2686
DOI: 10.1002/jcc.24493

Majid El-Hamdi, Miquel Solà, Jordi Poater, Alexey Y. Timoshkin
Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting
J. Comput. Chem., 2016, 37, 1355-1362
DOI: 10.1002/jcc.24328

JuanPablo Martínez, Miquel Solà, Alexander A. Voityuk
Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor-acceptor conjugate
J. Comput. Chem., 2016, 37, 1396-1405
DOI: 10.1002/jcc.24355

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