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Referências para bjcabral
(27)
2023
Solar–Thermal Fuels and the Role of Carbon Nanomaterials: A Perspective with Emphasis on the Azobenzene System
(2023)
Gabriel F. Martins
Bernardo de P. Cardoso
Nuno Galamba
Benedito J. C. Cabral
Artigos em Revista
2023
Experimental-Theoretical Approach for the Chemical Detection of Glyphosate and Its Potential Interferents Using a Copper Complex Fluorescent Probe
(2023)
Guilherme Martins et al., com 8 autores incluíndo:
Benedito Cabral
Artigos em Revista
2023
Ab Initio Approach to the Structure, Vibrational Properties, and Electron Binding Energies of H2S∙∙∙SO2
(2023)
Isaac O. M. Magalhães
Benedito J. C. Cabral
João B. L. Martins
Artigos em Revista
2023
Electron binding energies of SO2 at the surface of a water cluster
(2023)
João B. L. Martins
Benedito J. C. Cabral
Artigos em Revista
2022
Born-Oppenheimer molecular dynamics and electronic properties of liquid H2S: The importance of a non-local approach to dispersion interactions
(2022)
JRS Politi
JBL Martins
BJC Cabral
Artigos em Revista
2020
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
(2020)
Gabriel F. Martins
Bernardo de P. Cardoso
Nuno Galamba
Benedito J. C. Cabral
Artigos em Revista
2020
15N NMR Shifts of Eumelanin Building Blocks in Water: A Combined Quantum Mechanics/Statistical Mechanics Approach
(2020)
Leonardo Bruno Assis Oliveira
Tertius L. Fonseca
Benedito J. C. Cabral
Artigos em Revista
2020
On the spectral line width broadening for simulation of the two-photon absorption cross-section of para-Nitroaniline in liquid environment
(2020)
Tárcius N. Ramos
Daniel L. Silva
Benedito J.C. Cabral
Sylvio Canuto
Artigos em Revista
2019
Corrigendum to “The Kohn-Sham density of states of liquid HCN: Tuning a long-range corrected exchange–correlation functional for predicting electron binding energies” [Chem. Phys. Lett. 724 (2019) 96–102]
(2019)
B.J.C. Cabral
Artigos em Revista
2019
Liquid water structure from X-ray absorption and emission, NMR shielding and X-ray diffraction
(2019)
Iurii Zhovtobriukh
Benedito J. C. Cabral
Carmelo Corsaro
Domenico Mallamace
Lars G. M. Pettersson
Artigos em Revista
2019
The Kohn-Sham electronic density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies
(2019)
Benedito J.C. Cabral
Artigos em Revista
2019
Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene
(2019)
Gabriel F. Martins
Benedito J. C. Cabral
Artigos em Revista
2018
Born-Oppenheimer molecular dynamics, hydrogen bond interactions and magnetic properties of liquid hydrogen cyanide
(2018)
Benedito J.C. Cabral
Artigos em Revista
2018
Sistemas moleculares fotoativos para armazenamento de energia solar: aplicação da teoria do funcional da densidade para a determinação de parâmetros termodinâmicos da molécula de azobenzeno
(2018)
Gabriel Frederico Ferreira Martins
Benedito José Costa Cabral
Documentos Académicos
2018
Magnetic properties and core electron binding energies of liquid water
(2018)
N. Galamba
Benedito J. C. Cabral
Artigos em Revista
2017
Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p -nitroaniline in liquid water
(2017)
Benedito J.C. Cabral
Artigos em Revista
2016
Energetics of Radical Formation in Eumelanin Building Blocks: Implications for Understanding Photoprotection Mechanisms in Eumelanin
(2016)
Filipe Agapito
Benedito J. Costa Cabral
Artigos em Revista
2016
A First-Principles Approach to the Dynamics and Electronic Properties of p-Nitroaniline in Water
(2016)
B.J.C. Cabral
K. Coutinho
S. Canuto
Artigos em Revista
2016
Hydration effects on the electronic properties of eumelanin building blocks
(2016)
L. Bruno A. Oliveira
T.L. Fonseca
B. J. C. Cabral
K. Coutinho
S. Canuto
Artigos em Revista
2015
Structure and electronic properties of liquids and complex molecular systems in solution: coupling many-body energy decomposition schemes to Born-Oppenheimer Molecular Dynamics
(2015)
B.J.C. Cabral
K. Coutinho
S. Canuto
Capítulo em Livro
2015
Probing Lewis acid-basis interactions with Born-Oppenheimer Molecular Dynamics: the electronic absorption spectrum of p-nitroaniline in supercritical CO2
(2015)
Benedito J. Costa Cabral
Roberto Rivelino
Kaline Coutinho
Sylvio Canuto
Artigos em Revista
2015
A first principles approach to the electronic properties of liquid and supercritical CO2
(2015)
Benedito J. Costa Cabral
Roberto Rivelino
Kaline Coutinho
Sylvio Canuto
Artigos em Revista
2015
Electronic properties in supercritical fluids: the absorption spectrum of p-nitroaniline in water
(2015)
Marcelo Hidalgo Cardenuto
Kaline Coutinho
Benedito J.C. Cabral
Sylvio Canuto
Artigos em Revista
2013
Dinâmica molecular ab initio:aplicações ao estudo de propriedades electrónicas de sistemas moleculares
(2013)
Hugo Filipe de Mesquita Costa Martiniano
Cabral, Benedito José Costa
Simões, José Artur Martinho
Documentos Académicos
2012
Correlação da função antioxidante com a energia de ligação O-H em compostos fenólicos
(2012)
Gomes, Ana Rita Raimundo
Cabral, Benedito José Costa
Fernandez, Maria Tereza Neves
Documentos Académicos
2010
Theoretical Study of the Reactivity and Energetics of Organic Radicals
(2010)
Agapito, Filipe Miguel Peres
Cabral, Benedito José Costa
Simões, José Artur Martinho
Documentos Académicos
2001
Hydrogen bonding and the dipole moment of hydrofluorocarbons by density functional theory
(2001)
Benedito J. Costa Cabral
Rita C. Guedes
Rahool S. Pai-Panandiker
Carlos A. Nieto de Castro
Artigos em Revista