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Willian R. Rocha
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Synthesis, magnetostructural correlation, and catalytic promiscuity of unsymmetric dinuclear copper (II) complexes: Models for catechol oxidases and hydrolases
RE Osorio, RA Peralta, AJ Bortoluzzi, VR de Almeida, B Szpoganicz, ...
Inorganic chemistry 51 (3), 1569-1589, 2012
1252012
N4-Phenyl-substituted 2-acetylpyridine thiosemicarbazones: Cytotoxicity against human tumor cells, structure–activity relationship studies and investigation on the mechanism of …
MA Soares, JA Lessa, IC Mendes, JG Da Silva, RG Dos Santos, LB Salum, ...
Bioorganic & medicinal chemistry 20 (11), 3396-3409, 2012
1092012
Pyridine-derived thiosemicarbazones and their tin (IV) complexes with antifungal activity against Candida spp.
GL Parrilha, JG da Silva, LF Gouveia, AK Gasparoto, RP Dias, WR Rocha, ...
European journal of medicinal chemistry 46 (5), 1473-1482, 2011
872011
2-Acetylpyridine-and 2-benzoylpyridine-derived hydrazones and their gallium (III) complexes are highly cytotoxic to glioma cells
AAR Despaigne, GL Parrilha, JB Izidoro, PR da Costa, RG dos Santos, ...
European journal of medicinal chemistry 50, 163-172, 2012
792012
The hydrolysis process of the cis-dichloro(ethylenediamine)platinum(II): A theoretical study
LAS Costa, WR Rocha, WB De Almeida, HF Dos Santos
The Journal of chemical physics 118 (23), 10584-10592, 2003
712003
Hydroxylamine as an oxygen nucleophile. Structure and reactivity of ammonia oxide
AJ Kirby, JE Davies, TAS Brandão, PF da Silva, WR Rocha, F Nome
Journal of the American Chemical Society 128 (38), 12374-12375, 2006
682006
Improved quantum mechanical study of the potential energy surface for the bithiophene molecule
HA Duarte, HF Dos Santos, WR Rocha, WB De Almeida
The Journal of Chemical Physics 113 (10), 4206-4215, 2000
672000
An efficient quantum mechanical/molecular mechanics Monte Carlo simulation of liquid water
WR Rocha, K Coutinho, WB de Almeida, S Canuto
Chemical physics letters 335 (1-2), 127-133, 2001
662001
Design, structural and spectroscopic elucidation, and the in vitro biological activities of new diorganotin dithiocarbamates
IP Ferreira, GM de Lima, EB Paniago, WR Rocha, JA Takahashi, ...
European journal of medicinal chemistry 58, 493-503, 2012
602012
Monte Carlo simulation of cisplatin molecule in aqueous solution
JF Lopes, VS de A. Menezes, HA Duarte, WR Rocha, WB De Almeida, ...
The Journal of Physical Chemistry B 110 (24), 12047-12054, 2006
592006
Bismuth (III) complexes with 2-acetylpyridine-and 2-benzoylpyridine-derived hydrazones: Antimicrobial and cytotoxic activities and effects on the clonogenic survival of human …
IP Ferreira, EDL Piló, AA Recio-Despaigne, JG Da Silva, JP Ramos, ...
Bioorganic & medicinal chemistry 24 (13), 2988-2998, 2016
572016
Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study
MCP Lima, K Coutinho, S Canuto, WR Rocha
The Journal of Physical Chemistry A 110 (22), 7253-7261, 2006
562006
Theoretical study of the olefin insertion reaction in the heterobimetallic Pt (H)(PH3) 2 (SnCl3)(C2H4) compound
WR Rocha, WB De Almeida
Organometallics 17 (10), 1961-1967, 1998
541998
HNO Is Produced by the Reaction of NO with Thiols
SA Suarez, M Muñoz, L Alvarez, MF Venâncio, WR Rocha, DE Bikiel, ...
Journal of the American Chemical Society 139 (41), 14483-14487, 2017
522017
A Monte Carlo–quantum mechanical study of the solvatochromism of pyrimidine in water and in carbon tetrachloride
KJ de Almeida, K Coutinho, WB De Almeida, WR Rocha, S Canuto
Physical Chemistry Chemical Physics 3 (9), 1583-1587, 2001
522001
The solvent effect on the aquation processes of the cis-dichloro (ethylenediammine) platinum (II) using continuum solvation models
LAS Costa, WR Rocha, WB De Almeida, HF Dos Santos
Chemical physics letters 387 (1-3), 182-187, 2004
512004
Solvent effects on the electronic absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach
WR Rocha, VM Martins, K Coutinho, S Canuto
Theoretical Chemistry Accounts 108, 31-37, 2002
512002
NO/H2S “Crosstalk” Reactions. The Role of Thionitrites (SNO) and Perthionitrites (SSNO)
JP Marcolongo, MF Venancio, WR Rocha, F Doctorovich, JA Olabe
Inorganic Chemistry 58 (22), 14981-14997, 2019
492019
A radical rebound mechanism for the methane oxidation reaction promoted by the dicopper center of a pMMO enzyme: a computational perspective
JCS Da Silva, RCR Pennifold, JN Harvey, WR Rocha
Dalton Transactions 45 (6), 2492-2504, 2016
492016
The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study
WR Rocha, KJ De Almeida, K Coutinho, S Canuto
Chemical physics letters 345 (1-2), 171-178, 2001
452001
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