Results: 1524
Marcel Swart
Spin states of (bio)inorganic systems: Successes and pitfalls
Int. J. Quantum Chem., 2013, 113, 2-7
DOI: 10.1002/qua.24255OpenAccess: –Keywords: Spin states
Ramon Carbó-Dorca, Emili Besalú
EMP as a similarity measure: a geometric point of view
J Math Chem, 2013, 51, 382-389
DOI: 10.1007/s10910-012-0089-4OpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca, Emili Besalú
Function extended spaces
J Math Chem, 2013, 51, 660-671
DOI: 10.1007/s10910-012-0110-yOpenAccess: –Keywords: Molecular similarity
Olaf Cussó, Isaac Garcia-Bosch, Xavi Ribas, Julio Lloret-Fillol, Miquel Costas
Asymmetric Epoxidation with H2O2 by Manipulating the Electronic Properties of Non-heme Iron Catalysts
J. Am. Chem. Soc., 2013, 135, 14871-14878
DOI: 10.1021/ja4078446
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