Donald G. Truhlar
AuthID: R-006-FYN
1
TITLE: Photochemistry in a dense manifold of electronic states: Photodissociation of CH2ClBr Full Text
AUTHORS: Rosendo Valero ; Donald G Truhlar;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 137, ISSUE: 22
AUTHORS: Rosendo Valero ; Donald G Truhlar;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 137, ISSUE: 22
2
TITLE: Verdict: Time-Dependent Density Functional Theory "Not Guilty" of Large Errors for Cyanines Full Text
AUTHORS: Denis Jacquemin; Yan Zhao; Rosendo Valero ; Carlo Adamo; Ilaria Ciofini; Donald G Truhlar;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 8, ISSUE: 4
AUTHORS: Denis Jacquemin; Yan Zhao; Rosendo Valero ; Carlo Adamo; Ilaria Ciofini; Donald G Truhlar;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 8, ISSUE: 4
3
TITLE: New density functionals with broad applicability in chemistry (SOGGA11, SOGGA11-X, M11, M11-L) and approaches to open-shell DFT
AUTHORS: Donald G Truhlar; Roberto Peverati; Sijie J Luo; Ke Yang; Boris Averkiev; Yan Zhao; Rosendo Valero;
PUBLISHED: 2012, SOURCE: 11th International Biorelated Polymer Symposium / 243rd National Spring Meeting of the American-Chemical-Society (ACS) in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 243
AUTHORS: Donald G Truhlar; Roberto Peverati; Sijie J Luo; Ke Yang; Boris Averkiev; Yan Zhao; Rosendo Valero;
PUBLISHED: 2012, SOURCE: 11th International Biorelated Polymer Symposium / 243rd National Spring Meeting of the American-Chemical-Society (ACS) in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 243
INDEXED IN: 
WOS
WOS4
TITLE: Magnetic Coupling in Transition-Metal Binuclear Complexes by Spin-Flip Time-Dependent Density Functional Theory Full Text
AUTHORS: Rosendo Valero ; Francesc Illas; Donald G Truhlar;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 7, ISSUE: 11
AUTHORS: Rosendo Valero ; Francesc Illas; Donald G Truhlar;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 7, ISSUE: 11
5
TITLE: Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: Delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT Full Text
AUTHORS: Ke Yang; Roberto Peverati; Donald G Truhlar; Rosendo Valero ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 135, ISSUE: 4
AUTHORS: Ke Yang; Roberto Peverati; Donald G Truhlar; Rosendo Valero ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 135, ISSUE: 4
6
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
7
TITLE: Density functional study of CO and NO adsorption on Ni-doped MgO(100) Full Text
AUTHORS: Rosendo Valero ; Jose R B Gomes ; Donald G Truhlar; Francesc Illas;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 132, ISSUE: 10
AUTHORS: Rosendo Valero ; Jose R B Gomes ; Donald G Truhlar; Francesc Illas;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 132, ISSUE: 10
8
TITLE: On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies Full Text
AUTHORS: Denis Jacquemin; Eric A Perpete; Ilaria Ciofini; Carlo Adamo; Rosendo Valero ; Yan Zhao; Donald G Truhlar;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 6, ISSUE: 7
AUTHORS: Denis Jacquemin; Eric A Perpete; Ilaria Ciofini; Carlo Adamo; Rosendo Valero ; Yan Zhao; Donald G Truhlar;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 6, ISSUE: 7
9
TITLE: Good performance of the M06 family of hybrid meta generalized gradient approximation density functionals on a difficult case: CO adsorption on MgO(001) (vol 129, art no 124710, 2008) Full Text
AUTHORS: Rosendo Valero ; Jose R B Gomes ; Donald G Truhlar; Francesc Illas;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 130, ISSUE: 5
AUTHORS: Rosendo Valero ; Jose R B Gomes ; Donald G Truhlar; Francesc Illas;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 130, ISSUE: 5
10
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
