Rosendo Valero Montero
AuthID: R-000-VV5
31
TITLE: How accurate are electronic structure methods for actinoid chemistry? Full Text
AUTHORS: Boris B Averkiev; Manjeera Mantina; Rosendo Valero; Ivan Infante; Attila Kovacs; Donald G Truhlar; Laura Gagliardi;
PUBLISHED: 2011, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 129, ISSUE: 3-5
AUTHORS: Boris B Averkiev; Manjeera Mantina; Rosendo Valero; Ivan Infante; Attila Kovacs; Donald G Truhlar; Laura Gagliardi;
PUBLISHED: 2011, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 129, ISSUE: 3-5
IN MY: 
ORCID | 
ResearcherID
ORCID | ResearcherID32
TITLE: Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase S(N)2 Reaction of Acetate Ion with 1,2-Dichloroethane Full Text
AUTHORS: Valero, R; Song, LC; Gao, JL; Truhlar, DG;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 5, ISSUE: 1
AUTHORS: Valero, R; Song, LC; Gao, JL; Truhlar, DG;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 5, ISSUE: 1
IN MY: ORCID | ResearcherID
ORCID | ResearcherID33
TITLE: Valence-Bond Order (VBO): A New Approach to Modeling Reactive Potential Energy Surfaces for Complex Systems, Materials, and Nanoparticles Full Text
AUTHORS: Meiyu Zhao; Mark A Iron; Przemyslaw Staszewski; Nathan E Schultz; Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 5, ISSUE: 3
AUTHORS: Meiyu Zhao; Mark A Iron; Przemyslaw Staszewski; Nathan E Schultz; Rosendo Valero; Donald G Truhlar;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 5, ISSUE: 3
IN MY: ORCID | ResearcherID
ORCID | ResearcherID34
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
IN MY: ORCID | ResearcherID
ORCID | ResearcherID35
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
IN MY: ORCID | ResearcherID
ORCID | ResearcherID36
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
IN MY: ORCID | ResearcherID
ORCID | ResearcherID37
TITLE: Perspective on diabatic models of chemical reactivity as illustrated by the gas-phase SN2 reaction of acetate ion with 1,2-dichloroethane Full Text
AUTHORS: Valero, R; Song, L; Gao, J; Truhlar, DG;
PUBLISHED: 2009, SOURCE: Journal of Chemical Theory and Computation, VOLUME: 5, ISSUE: 8
AUTHORS: Valero, R; Song, L; Gao, J; Truhlar, DG;
PUBLISHED: 2009, SOURCE: Journal of Chemical Theory and Computation, VOLUME: 5, ISSUE: 8
38
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
IN MY: ORCID | ResearcherID
ORCID | ResearcherID39
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
IN MY: ORCID | ResearcherID
ORCID | ResearcherID40
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
IN MY: ORCID | ResearcherID
ORCID | ResearcherID