Valter Henrique Carvalho-Silva
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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
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
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
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
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
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, 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
pySiRC”: Machine Learning Combined with Molecular Fingerprints to Predict the Reaction Rate Constant of the Radical-Based Oxidation Processes of Aqueous …
FO Sanches-Neto, JR Dias-Silva, LH Keng Queiroz Junior, ...
Environmental Science & Technology 55 (18), 12437-12448, 2021
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
Deciphering the dynamics of organic nanoaggregates with AIEE effect and excited states: lipophilic benzothiadiazole derivatives as selective cell imaging probes
ER Sodre, BC Guido, PEN de Souza, DFS Machado, VH Carvalho-Silva, ...
The Journal of Organic Chemistry 85 (19), 12614-12634, 2020
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
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
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
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
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
“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
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
Zinc complexes with 1, 2-disubstituted benzimidazole ligands: Experimental and theoretical studies in the catalytic cycloaddition of CO2 with epoxides
JLS Milani, W de Almeida Bezerra, AKSM Valdo, FT Martins, ...
Polyhedron 173, 114134, 2019
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, 141-149, 2015
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