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Willian R. Rocha
Researcher at Universidade Federal de Minas Gerais
Publications - 105
Citations - 1851
Willian R. Rocha is an academic researcher from Universidade Federal de Minas Gerais. The author has contributed to research in topics: Density functional theory & Aqueous solution. The author has an hindex of 25, co-authored 101 publications receiving 1634 citations. Previous affiliations of Willian R. Rocha include Universidade Federal de Santa Catarina & University of California, Santa Barbara.
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Journal ArticleDOI
Synthesis, Magnetostructural Correlation, and Catalytic Promiscuity of Unsymmetric Dinuclear Copper(II) Complexes: Models for Catechol Oxidases and Hydrolases
Renata E. H. M. B. Osório,Rosely A. Peralta,Adailton J. Bortoluzzi,Vicente R. de Almeida,Bruno Szpoganicz,Franciele L. Fischer,Hernán Terenzi,Antonio S. Mangrich,Karen Mary Mantovani,Dalva E. C. Ferreira,Willian R. Rocha,Wolfgang Haase,Zbigniew Tomkowicz,Zbigniew Tomkowicz,Ademir dos Anjos,Ademir Neves +15 more
TL;DR: Complex 1 and 2 show both oxidoreductase and hydrolase/nuclease activities and can thus be regarded as man-made models for studying catalytic promiscuity and can be considered as functional models for catechol oxidase.
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Pyridine-derived thiosemicarbazones and their tin(IV) complexes with antifungal activity against Candida spp.
Gabrieli L. Parrilha,Jeferson G. Da Silva,Ludmila Ferreira Gouveia,Alan Kiill Gasparoto,Roberta P. Dias,Willian R. Rocha,Daniel Assis Santos,Nivaldo L. Speziali,Heloisa Beraldo +8 more
TL;DR: The antifungal activity of the studied compounds was evaluated against several Candida species and all studied compounds were more active than fluconazole against C. albicans, C. parapsilosis and C. krusei.
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N4-Phenyl-substituted 2-acetylpyridine thiosemicarbazones: Cytotoxicity against human tumor cells, structure–activity relationship studies and investigation on the mechanism of action
Marcella A. Soares,Josane A. Lessa,Isolda C. Mendes,Jeferson G. Da Silva,Raquel Gouvêa dos Santos,Lívia B. Salum,Hikmat N. Daghestani,Adriano D. Andricopulo,Billy W. Day,Andreas Vogt,Jorge L. Pesquero,Willian R. Rocha,Heloisa Beraldo +12 more
TL;DR: Thiosemicarbazones were more cytotoxic than etoposide and did not present any haemolytic activity at up to 10(-5)M but were able to induce programmed cell death.
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The hydrolysis process of the cis-dichloro(ethylenediamine)platinum(II): A theoretical study
TL;DR: In this paper, the stationary points on the gas phase potential energy surface for the first and second hydrolysis steps were optimized and characterized for the cisplatin analog cis-dichloro(ethylenediamine)platinum(II) (cis-DEP) was theoretically investigated at Hartree-Fock, density functional theory and second order Moller-Plesset perturbation theory levels of calculation.
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Improved quantum mechanical study of the potential energy surface for the bithiophene molecule
TL;DR: In this article, the potential energy surface (PES) of 2,2′-bithiophene was investigated using Hartree-Fock, correlated MP2, MP4, CCSD, and density functional theory levels.