Valter Henrique Carvalho-Silva
Valter Henrique Carvalho-Silva
Goias State University
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Uniform description of non-Arrhenius temperature dependence of reaction rates, and a heuristic criterion for quantum tunneling vs classical non-extensive distribution
VHC Silva, V Aquilanti, HCB de Oliveira, KC Mundim
Chemical Physics Letters 590, 201-207, 2013
Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions
V Aquilanti, ND Coutinho, VH Carvalho-Silva
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2017
Morita–Baylis–Hillman Reaction: ESI-MS (/MS) Investigation with Charge Tags and Ionic Liquid Effect Origin Revealed by DFT Calculations
TS Rodrigues, VHC Silva, PM Lalli, HCB de Oliveira, WA da Silva, ...
The Journal of organic chemistry 79 (11), 5239-5248, 2014
Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction
Journal of Physical Chemistry Letters 1553, 1553-1558, 2015
Synthesis, characterization, and computational study of a new dimethoxy-chalcone
RR Ternavisk, AJ Camargo, FBC Machado, JAFF Rocco, GLB Aquino, ...
Journal of molecular modeling 20 (12), 1-11, 2014
Deformed transition‐state theory: Deviation from A rrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime
VH Carvalho‐Silva, V Aquilanti, HCB de Oliveira, KC Mundim
Journal of computational chemistry 38 (3), 178-188, 2017
Temperature dependence of rate processes beyond Arrhenius and Eyring: Activation and Transitivity
VH Carvalho-Silva, ND Coutinho, V Aquilanti
Frontiers in chemistry 7, 380, 2019
Combined Role of the Asymmetric Counteranion-Directed Catalysis (ACDC) and Ionic Liquid Effect for the Enantioselective Biginelli Multicomponent Reaction
HGO Alvim, DLJ Pinheiro, VH Carvalho-Silva, M Fioramonte, FC Gozzo, ...
The Journal of organic chemistry 83 (19), 12143-12153, 2018
Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born–Oppenheimer Molecular Dynamics for OH + HBr
ND Coutinho, V Aquilanti, VHC Silva, AJ Camargo, KC Mundim, ...
The Journal of Physical Chemistry A 120 (27), 5408-5417, 2016
Methanol Solvation Effect on the Proton Rearrangement of Curcumin’s Enol Forms: An Ab Initio Molecular Dynamics and Electronic Structure Viewpoint
LG Santin, EM Toledo, VH Carvalho-Silva, AJ Camargo, R Gargano, ...
The Journal of Physical Chemistry C 120 (36), 19923-19931, 2016
Description of the effect of temperature on food systems using the deformed Arrhenius rate law: deviations from linearity in logarithmic plots vs. inverse temperature
ND Coutinho, VHC Silva, KC Mundim, HCB de Oliveira
Rendiconti Lincei 26 (2), 141-149, 2015
Selective endocytic trafficking in live cells with fluorescent naphthoxazoles and their boron complexes
GG Dias, BL Rodrigues, JM Resende, HDR Calado, CA de Simone, ...
Chemical Communications 51 (44), 9141-9144, 2015
From statistical thermodynamics to molecular kinetics: the change, the chance and the choice
V Aquilanti, EP Borges, ND Coutinho, KC Mundim, VH Carvalho-Silva
Rendiconti Lincei. Scienze Fisiche e Naturali 29 (4), 787-802, 2018
A novel assessment of the role of the methyl radical and water formation channel in the CH 3 OH+ H reaction
FO Sanches-Neto, ND Coutinho, VH Carvalho-Silva
Physical Chemistry Chemical Physics 19 (36), 24467-24477, 2017
Contribution of directional dihydrogen interactions in the supramolecular assembly of single crystals: quantum chemical and structural investigation of C17H17N3O2 azine
LR de Almeida, PS Carvalho Jr, HB Napolitano, SS Oliveira, AJ Camargo, ...
Crystal Growth & Design 17 (10), 5145-5153, 2017
Design of apolar chitosan-type adsorbent for removal of Cu (II) and Pb (II): An experimental and DFT viewpoint of the complexation process
CL Vieira, FOS Neto, VH Carvalho-Silva, R Signini
Journal of Environmental Chemical Engineering 7 (3), 103070, 2019
Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling
ND Coutinho, FO Sanches‐Neto, VH Carvalho‐Silva, HCB de Oliveira, ...
Journal of computational chemistry 39 (30), 2508-2516, 2018
Fully relativistic rovibrational energies and spectroscopic constants of the lowest, A′:(1) 2 u, A:(1) 1 u, and states of molecular chlorine
DFS Machado, VHC Silva, CS Esteves, R Gargano, LGM Macedo, ...
Journal of molecular modeling 18, 4343–4348, 2012
“Transitivity”: a code for computing kinetic and related parameters in chemical transformations and transport phenomena
HG Machado, FO Sanches-Neto, ND Coutinho, KC Mundim, F Palazzetti, ...
Molecules 24 (19), 3478, 2019
Rovibrational spectroscopic constants of the interaction between ammonia and metallo-phthalocyanines: a theoretical protocol for ammonia sensor design
AR Baggio, DFS Machado, VH Carvalho-Silva, LG Paterno, ...
Physical Chemistry Chemical Physics 19 (17), 10843-10853, 2017
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