Willian R. Rocha
机构: Departamento de Química - ICEX, Universidade Federal de Minas Gerais
主页: ufmg.br
每年引用次数
引用次数
引用: 2,708
H-指数: 30
I10-指数 : 75
出版物: 136
ESI-MS, UV-Vis, and Theoretical Investigation of Fe3+-Amoxicillin Complexation during Coagulation
T. H. O. Norte , R. B. P. Marcelino , R. P. L. Moreira , I. Binatti
Journal of Environmental Engineering 144 ( 3) 04018001
4
2018
Solvent effects on the electronic absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach
W. R. Rocha , V. M. Martins , K. Coutinho , S. Canuto
Theoretical Chemistry Accounts 108 ( 1) 31 -37
35
2002
Influence of oxidation state of sulfur on the dissociation of [Tz‐(CH2)n‐S(O)m‐(CH2)n‐Tz + Na+] adducts generated by electrospray ionization (Tz = tetrazole ring; n = 2, 3; m = 0, 1, 2)
Sheila Rodrigues Oliveira , Luciano José Nogueira , Rodinei Augusti , Maria Aparecida de Resende Stoianoff
Rapid Communications in Mass Spectrometry 26 ( 3) 377 -384
4
2012
Solvation and proton-coupled electron transfer reduction potential of ²NO• to ¹HNO in aqueous solution: a theoretical investigation
Mateus Fernandes Venâncio , Fabio Doctorovich , Willian Ricardo Rocha
Universidade Federal de Minas Gerais
2017
Formation and release of NO from ruthenium nitrosyl ammine complexes [Ru (NH3) 5 (NO)] ²+/³+ in aqueous solution: a theoretical investigation
Gabriel Libânio Silva Rodrigues , Willian Ricardo Rocha
Universidade Federal de Minas Gerais
2016
Cd (II)-Cd (II) Metal-Substitued Phosphotriesterase: Theoretical Analysis of A New Enzymatic Mechanisms to Paraoxon Phosphate Triester Hydrolysis
Marcelo Andrade Chagas , Eufrásia de Sousa Pereira , Júlio CS Da Silva , Willian Ricardo Rocha
Zn (II)-Zn (II) and Cd (II)-Cd (II) Metal-Substituted Phosphotriesterase (pdPTE): Theoretical Analysis of the Structure the Active Site and Interaction with Phosphate Triester Paraoxon
Marina PB Godinho , Marcelo Andrade Chagas , Willian Ricardo Rocha
Sequestrating anionic and cationic dyes from wastewater using spray dried biopolymeric magnetic composite: Experimental and theoretical studies
S.J. Olusegun , G.L.S. Rodrigues , E.T.F. Freitas , L.R.S. Lara
Journal of Hazardous Materials 380 120872
20
2019
Experimental and theoretical investigation on corrosion inhibition of hexamethylenetetramine [HMT] for mild steel in acidic solution
S. Aribo , S.J. Olusegun , G.L.S. Rodrigues , A.S. Ogunbadejo
Journal of The Taiwan Institute of Chemical Engineers 112 222 -231
12
2020
Design, structural and spectroscopic elucidation, and the in vitro biological activities of new triorganotin dithiocarbamates – Part II
I.P. Ferreira , G.M. de Lima , E.B. Paniago , W.R. Rocha
Polyhedron 79 161 -169
15
2014
QUANTUM CHEMICAL STUDY OF CISPLATIN-WATER COMPLEXES: AN INVESTIGATION OF ELECTRON CORRELATION EFFECTS
JULIANA FEDOCE LOPES , JÚLIO C. S. DA SILVA , WILLIAN R. ROCHA , WAGNER B. DE ALMEIDA
Journal of Theoretical and Computational Chemistry 10 ( 03) 371 -391
11
2011
AN EVALUATION OF QUANTUM CHEMICAL CALCULATIONS OF REACTION ENERGIES FOR CATALYTIC ACTIVATION PROCESSES: THE ACTIVATION OF PROPANE BY A RHODIUM CATALYST REVISITED
Willian R Rocha , Eder S Xavier , Julio CS Da Silva , Roberta P Dias
Journal of Theoretical and Computational Chemistry 11 ( 02) 297 -312
5
2012
Teoria do Funcional da Densidade
Hélio Anderson Duarte , WILLIAN RICARDO Rocha
Métodos de Química Teórica e Modelagem Molecular 2 73 -111
29
2007
Studies of energy transfer processes in structures derived of NH2-UiO-66 MOF
Vinicius FONTENELLE , Willian ROCHA
Galoá
2023
Propene Hydroformylation Reaction Catalyzed by HRh(CO)(BISBI): A Thermodynamic and Kinetic Analysis of the Full Catalytic Cycle
Júlio C. S. Da Silva , Júlio C. S. Da Silva , Roberta P. Dias , Roberta P. Dias
European Journal of Inorganic Chemistry 2020 ( 41) 3907 -3916
1
2020
Electronic structure and mechanism for the uptake of nitric oxide by the Ru(iii) antitumor complex NAMI-A
Willian R. Rocha , Eufrásia S. Pereira , Gabriel L. S. Rodrigues
RSC Advances 11 ( 13) 7381 -7390
2021
DFT Study of the Homogeneous Hydroformylation of Propene Promoted by a Heterobimetallic Pt–Sn Catalyst
Roberta P. Dias , Willian R. Rocha
Organometallics 30 ( 16) 4257 -4268
21
2011
Revisiting the Tropospheric OH-Initiated Unimolecular Decomposition of Chlorpyrifos and Chlorpyrifos-Methyl: A Theoretical Perspective
Mateus M. Quintano , Gabriel L. S. Rodrigues , Marcelo A. Chagas , Willian R. Rocha
Journal of Physical Chemistry A 124 ( 21) 4280 -4289
2020
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
Bioorganic & Medicinal Chemistry 20 ( 11) 3396 -3409
55
2012
Pyridine-derived thiosemicarbazones and their tin(IV) complexes with antifungal activity against Candida spp.
Gabrieli L. Parrilha , Jeferson G. da Silva , Ludmila F. Gouveia , Alan K. Gasparoto
European Journal of Medicinal Chemistry 46 ( 5) 1473 -1482
50
2011