| 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 | 108 | 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 | 107 | 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 | 105 | 2019 |
| Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction ND COUTINHO, VHC SILVA, HCB DE OLIVEIRA, AJ CAMARGO, ... Journal of Physical Chemistry Letters 1553, 1553-1558, 2015 | 81 | 2015 |
| 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 | 76 | 2018 |
| “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 | 71 | 2021 |
| 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 | 65 | 2014 |
| 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 | 62 | 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 | 59 | 2017 |
| 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 | 43 | 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 | 40 | 2020 |
| 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 | 35 | 2019 |
| 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 | 34 | 2016 |
| “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 | 32 | 2019 |
| 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 | 31 | 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 | 30 | 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 | 30 | 2015 |
| 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 | 29 | 2018 |
| 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, 787-802, 2018 | 27 | 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 | 26 | 2019 |
Vincenzo AquilantiEmeritus Professor, Università di PerugiaBestätigte E-Mail-Adresse bei unipg.it