Literature DB >> 16863129

Comment on "Accurate experimental values for the free energies of hydration of H+, OH-, and H3O+".

Donald M Camaioni1, Christine A Schwerdtfeger.   

Abstract

Entities:  

Year:  2005        PMID： 16863129     DOI： 10.1021/jp054088k

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN： 1089-5639            Impact factor:   2.781


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  28 in total

1.  Accurate gas phase acidities of carboxylic acids estimated by scaling the vibrational contribution of ab initio Gibbs free energies.

Authors:  Piotr Cysewski
Journal:  J Mol Model       Date:  2007-04-03       Impact factor: 1.810

2.  Computational study of Th(4+) and Np(4+) hydration and hydrolysis of Th(4+) from first principles.

Authors:  Davi H T Amador; Julio R Sambrano; Ricardo Gargano; Luiz Guilherme M de Macedo
Journal:  J Mol Model       Date:  2017-02-14       Impact factor: 1.810

3.  Proton affinity of para-substituted acetophenones in gas phase and in solution: a theoretical study.

Authors:  Abir Haloui; Ezzeddine Haloui
Journal:  J Mol Model       Date:  2012-09-21       Impact factor: 1.810

4.  Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide.

Authors:  Casey P Kelly; Christopher J Cramer; Donald G Truhlar
Journal:  J Phys Chem B       Date:  2007-01-18       Impact factor: 2.991

5.  Computational benchmark for calculation of silane and siloxane thermochemistry.

Authors:  Marek Cypryk; Bartłomiej Gostyński
Journal:  J Mol Model       Date:  2016-01-19       Impact factor: 1.810

6.  Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.

Authors:  Luan Carvalho Martins; Pedro Henrique Monteiro Torres; Renata Barbosa de Oliveira; Pedro Geraldo Pascutti; Elio A Cino; Rafaela Salgado Ferreira
Journal:  J Comput Aided Mol Des       Date:  2018-03-21       Impact factor: 3.686

7.  Density Functional Study of the Influence of C5 Cytosine Substitution in Base Pairs with Guanine.

Authors:  Adam Moser; Rebecca Guza; Natalia Tretyakova; Darrin M York
Journal:  Theor Chem Acc       Date:  2009-03-01       Impact factor: 1.702

8.  Combined quantum mechanical and molecular mechanical simulations of one- and two-electron reduction potentials of flavin cofactor in water, medium-chain acyl-CoA dehydrogenase, and cholesterol oxidase.

Authors:  Sudeep Bhattacharyya; Marian T Stankovich; Donald G Truhlar; Jiali Gao
Journal:  J Phys Chem A       Date:  2007-06-14       Impact factor: 2.781

9.  Divergent mechanisms for enzymatic excision of 5-formylcytosine and 5-carboxylcytosine from DNA.

Authors:  Atanu Maiti; Anna Zhachkina Michelson; Cherece J Armwood; Jeehiun K Lee; Alexander C Drohat
Journal:  J Am Chem Soc       Date:  2013-10-07       Impact factor: 15.419

10.  Reactivity of the [Au(C^N^C)Cl] complex in the presence of H2O and N-, S- and Se-containing nucleophiles: a DFT study.

Authors:  G Y Sánchez Delgado; D Paschoal; H F Dos Santos
Journal:  J Biol Inorg Chem       Date:  2018-09-12       Impact factor: 3.358
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