21
TITLE: An Empirical, yet Practical Way To Predict the Band Gap in Solids by Using Density Functional Band Structure Calculations
AUTHORS: Ángel Morales-García; Rosendo Valero; Francesc Illas;
PUBLISHED: 2017, SOURCE: The Journal of Physical Chemistry C, VOLUME: 121, ISSUE: 34
INDEXED IN: CrossRef: 184
IN MY: ORCID
22
TITLE: Violation of DNA neighbor exclusion principle in RNA recognition
AUTHORS: Yousuf, M; Youn, IS; Yun, J; Rasheed, L; Valero, R; Shi, G; Kim, KS;
PUBLISHED: 2016, SOURCE: CHEMICAL SCIENCE, VOLUME: 7, ISSUE: 6
INDEXED IN: WOS CrossRef: 17
IN MY: ORCID
23
TITLE: A molecular view of cisplatin's mode of action: interplay with DNA bases and acquired resistance
AUTHORS: Marques, MPM; Gianolio, D; Cibin, G; Tomkinson, J; Parker, SF; Valero, R; Lopes, RP; de Carvalho, LAEB;
PUBLISHED: 2015, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 17, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
24
TITLE: Spin Adapted versus Broken Symmetry Approaches in the Description of Magnetic Coupling in Heterodinuclear Complexes
AUTHORS: Costa, R; Valero, R; Mañeru, DR; Moreira, IDR; Illas, F;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 11, ISSUE: 3
INDEXED IN: WOS CrossRef: 13
IN MY: ORCID
25
TITLE: Intriguing Electrostatic Potential of CO: Negative Bond-ends and Positive Bond-cylindrical-surface
AUTHORS: Kim, H; Doan, VD; Cho, WJ; Valero, R; Tehrani, ZA; Madridejos, JML; Kim, KS;
PUBLISHED: 2015, SOURCE: SCIENTIFIC REPORTS, VOLUME: 5, ISSUE: 1
INDEXED IN: WOS CrossRef: 31
IN MY: ORCID
26
TITLE: An inelastic neutron scattering study of dietary phenolic acids  Full Text
AUTHORS: Paula P M Marques; Luis A E B Batista de Carvalho ; Rosendo Valero; Nelson F L Machado; Stewart F Parker;
PUBLISHED: 2014, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 16, ISSUE: 16
INDEXED IN: Scopus WOS CrossRef: 5
27
TITLE: Applying vibrational spectroscopy to the study of nucleobases - adenine as a case-study  Full Text
AUTHORS: Rui P Lopes; Rosendo Valero; John Tomkinson; Paula P M Marques ; Luis A E B Batista de Carvalho ;
PUBLISHED: 2013, SOURCE: NEW JOURNAL OF CHEMISTRY, VOLUME: 37, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef: 10
28
TITLE: Guanine-A combined study using vibrational spectroscopy and theoretical methods
AUTHORS: Lopes, RP; Marques, MPM ; Valero, R; Tomkinson, J; Batista De Carvalho, LAE ;
PUBLISHED: 2013, SOURCE: Advances in Biomedical Spectroscopy, VOLUME: 7
INDEXED IN: Scopus
IN MY: ORCID
29
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
INDEXED IN: WOS
30
TITLE: Conformational behaviour of antioxidant chromones. A vibrational spectroscopy study
AUTHORS: MacHado, NFL; Valero, R; Domingos, HS; Tomkinson, J; Batista De Carvalho, LAE; Otero, JC; Marques, MPM;
PUBLISHED: 2012, SOURCE: Vibrational Spectroscopy, VOLUME: 63
INDEXED IN: Scopus
IN MY: ORCID
Page 3 of 6. Total results: 60.