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Benedito José Costa Cabral, Ph.D. - Publications

Affiliations: 
Departamento de Química e Bioquímica Universidade de Lisboa, Lisboa, Lisboa, Portugal 
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21 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Ramos TN, Silva DL, Cabral BJ, Canuto S. On the spectral line width broadening for simulation of the two-photon absorption cross-section of para-Nitroaniline in liquid environment Journal of Molecular Liquids. 301: 112405. DOI: 10.1016/J.Molliq.2019.112405  0.3
2019 Cabral BJ. The Kohn-Sham electronic density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies Chemical Physics Letters. 724: 96-102. DOI: 10.1016/j.cplett.2019.03.052  0.342
2018 Cabral BJ. Born-Oppenheimer molecular dynamics, hydrogen bond interactions and magnetic properties of liquid hydrogen cyanide Journal of Molecular Liquids. 272: 778-786. DOI: 10.1016/J.Molliq.2018.09.092  0.425
2017 Cabral BJ. Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid water Chemical Physics Letters. 667: 332-336. DOI: 10.1016/J.Cplett.2016.11.017  0.506
2016 Agapito F, Cabral BJ. Energetics of Radical Formation in Eumelanin Building Blocks: Implications for Understanding Photoprotection Mechanisms in Eumelanin. The Journal of Physical Chemistry. A. 120: 10018-10022. PMID 28002950 DOI: 10.1021/Acs.Jpca.6B10122  0.312
2016 Cabral BJ, Coutinho K, Canuto S. A First Principles Approach to the Dynamics and Electronic Properties of p-Nitroaniline in Water. The Journal of Physical Chemistry. A. PMID 27187208 DOI: 10.1021/Acs.Jpca.6B01797  0.505
2015 Cabral BJ, Rivelino R, Coutinho K, Canuto S. Probing Lewis Acid-Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2. The Journal of Physical Chemistry. B. PMID 26039255 DOI: 10.1021/Acs.Jpcb.5B02902  0.463
2015 Cabral BJ, Rivelino R, Coutinho K, Canuto S. A first principles approach to the electronic properties of liquid and supercritical CO2. The Journal of Chemical Physics. 142: 024504. PMID 25591369 DOI: 10.1063/1.4905256  0.526
2014 Martiniano HF, Galamba N, Cabral BJ. Ab initio calculation of the electronic absorption spectrum of liquid water. The Journal of Chemical Physics. 140: 164511. PMID 24784291 DOI: 10.1063/1.4871740  0.503
2013 Cabral BJ, Coutinho K, Canuto S. Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c(2) in liquid methanol. The Journal of Chemical Physics. 138: 225102. PMID 23781823 DOI: 10.1063/1.4808177  0.439
2012 Mateus MP, Galamba N, Cabral BJ. Structure and electronic properties of a benzene-water solution. The Journal of Chemical Physics. 136: 014507. PMID 22239789 DOI: 10.1063/1.3671947  0.537
2011 Assis AC, Couto N, Duarte MF, Rodrigues P, Barros MT, Costa ML, Cabral BJ, Fernandez MT. Azidoacetone as a complexing agent of transition metals Ni2+/Co2+ promoted dissociation of the C-C bond in azidoacetone. Journal of Mass Spectrometry : Jms. 46: 696-704. PMID 21706676 DOI: 10.1002/Jms.1940  0.349
2010 Canuto S, Coutinho K, Cabral BJ, Zakrzewski VG, Ortiz JV. Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion. The Journal of Chemical Physics. 132: 214507. PMID 20528031 DOI: 10.1063/1.3431081  0.363
2009 Mata RA, Stoll H, Cabral BJ. A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water. Journal of Chemical Theory and Computation. 5: 1829-37. PMID 26610007 DOI: 10.1021/ct9001653  0.413
2009 Galamba N, Mata RA, Cabral BJ. Electronic excitation of Cl- in liquid water and at the surface of a cluster: a sequential Born-Oppenheimer molecular dynamics/quantum mechanics approach. The Journal of Physical Chemistry. A. 113: 14684-90. PMID 19728721 DOI: 10.1021/Jp904687K  0.531
2009 Mata RA, Cabral BJ, Millot C, Coutinho K, Canuto S. Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: a sequential molecular dynamics/quantum mechanical approach. The Journal of Chemical Physics. 130: 014505. PMID 19140620 DOI: 10.1063/1.3054184  0.553
2008 Galamba N, Cabral BJ. The changing hydrogen-bond network of water from the bulk to the surface of a cluster: a born-oppenheimer molecular dynamics study. Journal of the American Chemical Society. 130: 17955-60. PMID 19049430 DOI: 10.1021/ja807111y  0.315
2008 Couto N, Ramos MJ, Fernandez MT, Rodrigues P, Barros MT, Costa ML, Cabral BJ, Duarte MF. Study of doubly charged alkaline earth metal and 3-azidopropionitrile complexes by electrospray ionization mass spectrometry. Rapid Communications in Mass Spectrometry : Rcm. 22: 582-90. PMID 18220327 DOI: 10.1002/Rcm.3397  0.363
2007 Couto N, Duarte MF, Fernandez MT, Rodrigues P, Barros MT, Costa ML, Cabral BJ. Complexation of transition metals by 3-azidopropionitrile. An electrospray ionization mass spectrometry study. Journal of the American Society For Mass Spectrometry. 18: 453-65. PMID 17141524 DOI: 10.1016/J.Jasms.2006.10.018  0.361
2006 Lopes SC, Soares CM, Baptista AM, Goormaghtigh E, Cabral BJ, Castanho MA. Conformational and orientational guidance of the analgesic dipeptide kyotorphin induced by lipidic membranes: putative correlation toward receptor docking. The Journal of Physical Chemistry. B. 110: 3385-94. PMID 16494353 DOI: 10.1021/Jp053651W  0.304
1995 Cabral BJ, Martins JL. First-principles molecular dynamics of liquid cesium and rubidium. Physical Review. B, Condensed Matter. 51: 872-877. PMID 9978236 DOI: 10.1103/Physrevb.51.872  0.47
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