11
TITLE: A first principles approach to the interactions of alkali metal atoms with carbon quantum dots  Full Text
AUTHORS: Politi, JRS; Martins, JBL; Cabral, BJC;
PUBLISHED: 2021, SOURCE: COMPUTATIONAL MATERIALS SCIENCE, VOLUME: 197
INDEXED IN: WOS
12
TITLE: Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water  Full Text
AUTHORS: Oliveira, LBA; Fonseca, TL; Cabral, BJC; Coutinho, K; Canuto, S;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 155, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
14
TITLE: N-15 NMR Shifts of Eumelanin Building Blocks in Water: A Combined Quantum Mechanics/Statistical Mechanics Approach  Full Text
AUTHORS: Oliveira, LBA; Fonseca, TL; Cabral, BJC;
PUBLISHED: 2020, SOURCE: MOLECULES, VOLUME: 25, ISSUE: 16
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
15
TITLE: Exploring a near-Hartree-Fock-Kohn-Sham approach to study electronic properties of azobenzene in interaction with gold: From clusters to the Au(111) surface  Full Text
AUTHORS: Martins, GF; Cardoso, BD; Galamba, N; Cabral, BJC;
PUBLISHED: 2020, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 153, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 2
IN MY: ORCID
16
TITLE: Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene
AUTHORS: Martins, GF; Cabral, BJC;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 123, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 10
IN MY: ORCID
18
TITLE: Liquid water structure from X-ray absorption and emission, NMR shielding and X-ray diffraction
AUTHORS: Iurii Zhovtobriukh; Benedito J C Cabral; Carmelo Corsaro; Domenico Mallamace; Lars G M Pettersson;
PUBLISHED: 2019, SOURCE: SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, VOLUME: 62, ISSUE: 10
INDEXED IN: Scopus WOS
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