Donald G. Truhlar
AuthID: R-006-FYN
11
TITLE: Consistent van der Waals Radii for the Whole Main Group
AUTHORS: Manjeera Mantina; Adam C Chamberlin; Rosendo Valero; Christopher J Cramer; Donald G Truhlar;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 113, ISSUE: 19
AUTHORS: Manjeera Mantina; Adam C Chamberlin; Rosendo Valero; Christopher J Cramer; Donald G Truhlar;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 113, ISSUE: 19
12
TITLE: Coupled-surface investigation of the photodissociation of NH3((A)over-tilde): Effect of exciting the symmetric and antisymmetric stretching modes Full Text
AUTHORS: David Bonhommeau; Rosendo Valero; Donald G Truhlar; Ahren W Jasper;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 130, ISSUE: 23
AUTHORS: David Bonhommeau; Rosendo Valero; Donald G Truhlar; Ahren W Jasper;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 130, ISSUE: 23
13
TITLE: Validation study of the ability of density functionals to predict the planar-to-three-dimensional structural transition in anionic gold clusters Full Text
AUTHORS: Manjeera Mantina; Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 131, ISSUE: 6
AUTHORS: Manjeera Mantina; Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 131, ISSUE: 6
14
TITLE: Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules Full Text
AUTHORS: Rosendo Valero; Ramon Costa; Iberio de P R Moreira; Donald G Truhlar; Francesc Illas;
PUBLISHED: 2008, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 128, ISSUE: 11
AUTHORS: Rosendo Valero; Ramon Costa; Iberio de P R Moreira; Donald G Truhlar; Francesc Illas;
PUBLISHED: 2008, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 128, ISSUE: 11
15
TITLE: Adiabatic states derived from a spin-coupled diabatic transformation: Semiclassical trajectory study of photodissociation of HBr and the construction of potential curves for LiBr+
AUTHORS: Rosendo Valero; Donald G Truhlar; Ahren W Jasper;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 112, ISSUE: 25
AUTHORS: Rosendo Valero; Donald G Truhlar; Ahren W Jasper;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 112, ISSUE: 25
16
TITLE: Symmetry numbers and chemical reaction rates Full Text
AUTHORS: Antonio Fernandez Ramos; Benjamin A Ellingson; Ruben Meana Paneda; Jorge M C Marques ; Donald G Truhlar;
PUBLISHED: 2007, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 118, ISSUE: 4
AUTHORS: Antonio Fernandez Ramos; Benjamin A Ellingson; Ruben Meana Paneda; Jorge M C Marques ; Donald G Truhlar;
PUBLISHED: 2007, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 118, ISSUE: 4
INDEXED IN: 
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Scopus WOS17
TITLE: Improved direct diabatization and coupled potential energy surfaces for the photodissociation of ammonia Full Text
AUTHORS: Zhen Hua Li; Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2007, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 118, ISSUE: 1
AUTHORS: Zhen Hua Li; Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2007, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 118, ISSUE: 1
18
TITLE: A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamics
AUTHORS: Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 35
AUTHORS: Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 35
19
TITLE: Symmetry numbers and chemical reaction rates Full Text
AUTHORS: Antonio Fernández-Ramos; Benjamin A Ellingson; Rubén Meana-Pañeda; Jorge M C Marques; Donald G Truhlar;
PUBLISHED: 2007, SOURCE: Theor Chem Account - Theoretical Chemistry Accounts, VOLUME: 118, ISSUE: 4
AUTHORS: Antonio Fernández-Ramos; Benjamin A Ellingson; Rubén Meana-Pañeda; Jorge M C Marques; Donald G Truhlar;
PUBLISHED: 2007, SOURCE: Theor Chem Account - Theoretical Chemistry Accounts, VOLUME: 118, ISSUE: 4
20
TITLE: Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chloride Full Text
AUTHORS: Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2006, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 125, ISSUE: 19
AUTHORS: Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2006, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 125, ISSUE: 19
