| The cluster-continuum model for the calculation of the solvation free energy of ionic species JR Pliego, JM Riveros The Journal of Physical Chemistry A 105 (30), 7241-7247, 2001 | 497 | 2001 |
| Theoretical calculation of p K a using the cluster-continuum model JR Pliego, JM Riveros The Journal of Physical Chemistry A 106 (32), 7434-7439, 2002 | 398 | 2002 |
| Gibbs energy of solvation of organic ions in aqueous and dimethyl sulfoxide solutions JR Pliego Jr, JM Riveros Physical Chemistry Chemical Physics 4 (9), 1622-1627, 2002 | 257 | 2002 |
| Thermodynamic cycles and the calculation of pKa JR Pliego Jr Chemical Physics Letters 367 (1-2), 145-149, 2003 | 210 | 2003 |
| Ionization of Organic Acids in Dimethyl Sulfoxide Solution: A Theoretical Ab Initio Calculation of the p K a Using a New Parametrization of the Polarizable Continuum Model GI Almerindo, DW Tondo, JR Pliego The Journal of Physical Chemistry A 108 (1), 166-171, 2004 | 158 | 2004 |
| New values for the absolute solvation free energy of univalent ions in aqueous solution JR Pliego Jr, JM Riveros Chemical Physics Letters 332 (5-6), 597-602, 2000 | 146 | 2000 |
| Mechanism of the piperidine-catalyzed Knoevenagel condensation reaction in methanol: the role of iminium and Enolate ions EV Dalessandro, HP Collin, LGL Guimarães, MS Valle, JR Pliego Jr The Journal of Physical Chemistry B 121 (20), 5300-5307, 2017 | 98 | 2017 |
| Parametrization of the PCM model for calculating solvation free energy of anions in dimethyl sulfoxide solutions JR Pliego Jr, JM Riveros Chemical physics letters 355 (5-6), 543-546, 2002 | 84 | 2002 |
| Hybrid discrete‐continuum solvation methods JR Pliego Jr, JM Riveros Wiley Interdisciplinary Reviews: Computational Molecular Science, e1440, 2019 | 83 | 2019 |
| A Theoretical Analysis of the Free‐Energy Profile of the Different Pathways in the Alkaline Hydrolysis of Methyl Formate In Aqueous Solution JR Pliego Jr, JM Riveros Chemistry-A European Journal 8 (8), 1945-1953, 2002 | 79 | 2002 |
| Basic hydrolysis of formamide in aqueous solution: a reliable theoretical calculation of the activation free energy using the cluster-continuum model JR Pliego Jr Chemical physics 306 (1-3), 273-280, 2004 | 73 | 2004 |
| Ab initio study of the hydroxide ion–water clusters: An accurate determination of the thermodynamic properties for the processes nH2O+ OH−→ HO−(H2O) n (n= 1–4) JR Pliego Jr, JM Riveros The Journal of Chemical Physics 112 (9), 4045-4052, 2000 | 70 | 2000 |
| Absolute solvation free energy of Li+ and Na+ ions in dimethyl sulfoxide solution: A theoretical ab initio and cluster-continuum model study E Westphal, JR Pliego Jr The Journal of chemical physics 123 (7), 074508, 2005 | 67 | 2005 |
| Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single-ion solvation free energy scale NF Carvalho, JR Pliego Physical Chemistry Chemical Physics 17 (40), 26745-26755, 2015 | 64 | 2015 |
| Theoretical Prediction of p K a in Methanol: Testing SM8 and SMD Models for Carboxylic Acids, Phenols, and Amines ELM Miguel, PL Silva, JR Pliego The Journal of Physical Chemistry B 118 (21), 5730-5739, 2014 | 62 | 2014 |
| Absolute single-ion solvation free energy scale in methanol determined by the lithium cluster-continuum approach JR Pliego Jr, ELM Miguel The Journal of Physical Chemistry B 117 (17), 5129-5135, 2013 | 62 | 2013 |
| Intramolecular catalysis of phosphodiester hydrolysis by two imidazoles ES Orth, TAS Brandao, BS Souza, JR Pliego, BG Vaz, MN Eberlin, ... Journal of the American Chemical Society 132 (24), 8513-8523, 2010 | 61 | 2010 |
| On the calculation of the absolute solvation free energy of ionic species: application of the extrapolation method to the hydroxide ion in aqueous solution JR Pliego, JM Riveros The Journal of Physical Chemistry B 104 (21), 5155-5160, 2000 | 59 | 2000 |
| How Accurate is the SMD Model for Predicting Free Energy Barriers for Nucleophilic Substitution Reactions in Polar Protic and Dipolar Aprotic Solvents? ELM Miguel, CIL Santos, CM Silva, JR Pliego Jr J. Braz. Chem. Soc., 2016 | 58 | 2016 |
| Revisiting the Mechanism of Neutral Hydrolysis of Esters: Water Autoionization Mechanisms with Acid or Base Initiation Pathways PL da Silva, L Guimarães, JR Pliego Jr The Journal of Physical Chemistry B 117 (21), 6487-6497, 2013 | 58 | 2013 |
Marcelo Siqueira ValleUniversidade Federal de São João del-ReiVerified email at ufsj.edu.br
