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Results: 1240

Syud M. Ahmed, Albert Poater, M. Ian Childers, Peter C. B. Widger, Anne M. LaPointe, Emil B. Lobkovsky, Geoffrey W. Coates, Luigi 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

Julie Broggi, Václav Jurčík, Olivier Songis, Albert Poater, Luigi Cavallo, Alexandra M. Z. Slawin, Catherine 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

César A. Urbina-Blanco, Albert Poater, Tomas Lebl, Simone Manzini, Alexandra M. Z. Slawin, Luigi Cavallo, Steven P. Nolan
The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis
J. Am. Chem. Soc., 2013, 135, 7073-7079
DOI: 10.1021/ja402700p

Emili Besalú
From Periodic Properties to a Periodic Table Arrangement
J. Chem. Educ., 2013, 90, 1009-1013
DOI: 10.1021/ed3004534

Eloy Ramos-Cordoba, Pedro Salvador, István Mayer
The atomic orbitals of the topological atom
J. Chem. Phys., 2013, 138, 214107
DOI: 10.1063/1.4807775

Sergi Ruiz-Barragan, Michael A. Robb, Lluís Blancafort
Conical Intersection Optimization Based on a Double NewtonRaphson Algorithm Using Composed Steps
J. Chem. Theory Comput., 2013, 9, 1433-1442
DOI: 10.1021/ct301059t

Robert Zaleśny, Robert W. Góra, Justyna Kozłowska, Josep M. Luis, Hans Ågren, Wojciech Bartkowiak
Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene
J. Chem. Theory Comput., 2013, 9, 3463-3472
DOI: 10.1021/ct400410m

Marc Garcia-Borràs, Miquel Solà, David Lauvergnat, Heribert Reis, Josep M. Luis, Bernard Kirtman
A Full Dimensionality Approach to Evaluate the Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Tunneling Motions
J. Chem. Theory Comput., 2013, 9, 520-532
DOI: 10.1021/ct300805p

Aggelos Avramopoulos, Heribert Reis, Josep M. Luis, Manthos G. Papadopoulos
On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF
J. Comput. Chem., 2013, 34, 1446-1455
DOI: 10.1002/jcc.23280

Alexandra T. P. Carvalho, Ana F. S. Teixeira, Maria J. Ramos
Parameters for molecular dynamics simulations of iron-sulfur proteins
J. Comput. Chem., 2013, 34, 1540-1548
DOI: 10.1002/jcc.23287