1
TITLE: Polymorphism in Cisplatin Anticancer Drug
AUTHORS: Paula P M Marques ; Rosendo Valero ; Stewart F Parker; John Toinkinson; Luis A E B Batista de Carvalho ;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 117, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 19
2
TITLE: Conformational behaviour of antioxidant chromones. A vibrational spectroscopy study  Full Text
AUTHORS: Machado, NFL; Valero, R ; Domingos, HS; Tomkinson, J; Batista de Carvalho, LAEB ; Otero, JC; Marques, MPM ;
PUBLISHED: 2012, SOURCE: VIBRATIONAL SPECTROSCOPY, VOLUME: 63
INDEXED IN: Scopus WOS CrossRef
3
TITLE: Guanine: A Combined Study Using Vibrational Spectroscopy and Theoretical Methods  Full Text
AUTHORS: Lopes, RP; Marques, MPM ; Valero, R ; Tomkinson, J; de Carvalho, LAEB ;
PUBLISHED: 2012, SOURCE: SPECTROSCOPY-AN INTERNATIONAL JOURNAL, VOLUME: 27, ISSUE: 5-6
INDEXED IN: Scopus WOS CrossRef
4
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
INDEXED IN: Scopus WOS CrossRef
5
TITLE: Quantitative integral cross sections for the H + CO2 -> OH plus CO reaction from a density functional theory-based potential energy surface  Full Text
AUTHORS: Rosendo Valero ; Stefan Andersson;
PUBLISHED: 2012, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 14, ISSUE: 48
INDEXED IN: Scopus WOS CrossRef
6
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
INDEXED IN: Scopus WOS CrossRef
8
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
INDEXED IN: Scopus WOS CrossRef
9
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
INDEXED IN: Scopus WOS CrossRef: 42
10
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
INDEXED IN: Scopus WOS CrossRef
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