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TITLE: Ab initio approach to the electronic properties of sodium-ammonia clusters: Comparison with ammonia clusters  Full Text
AUTHORS: Almeida, TS; Costa J C Cabral ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 132, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
12
TITLE: Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion  Full Text
AUTHORS: Sylvio Canuto; Kaline Coutinho; Benedito J C Cabral ; Zakrzewski, VG; Ortiz, JV;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 132, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
13
TITLE: Electron binding energies of free base porphyrin and magnesium-porphyrin: A sequential Born-Oppenheimer molecular dynamics/quantum mechanics approach  Full Text
AUTHORS: Hugo F M C Martiniano; Benedito J C Costa Cabral ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
14
TITLE: Electronic properties of liquid hydrogen fluoride: A sequential quantum mechanical/Born-Oppenheimer molecular dynamics approach  Full Text
AUTHORS: Benedito J C Costa Cabral ; Kaline Coutinho; Sylvio Canuto;
PUBLISHED: 2010, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 495, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
15
TITLE: A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water  Full Text
AUTHORS: Ricardo A Mata; Hermann Stoll; Costa J C Cabral ;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 5, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
16
TITLE: Born-Oppenheimer Molecular Dynamics of the Hydration of Na+ in a Water Cluster
AUTHORS: Galamba, N; Costa Cabral, BJC ;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 113, ISSUE: 50
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
17
TITLE: Dipole polarizability and Rayleigh light scattering by the hydrated electron  Full Text
AUTHORS: Tertius L Fonseca; Marcos A Castro; Benedito J C Cabral ; Kaline Coutinho; Sylvio Canuto;
PUBLISHED: 2009, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 481, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
18
TITLE: Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: A sequential molecular dynamics/quantum mechanical approach  Full Text
AUTHORS: Ricardo A Mata; Benedito Costa C Cabral ; Claude Millot; Kaline Coutinho; Sylvio Canuto;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 130, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
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