Solvation of the Hydroxide Anion: A Combined DFT and Molecular Dynamics Study-Reference-Cited by-同舟云学术

Solvation of the Hydroxide Anion: A Combined DFT and Molecular Dynamics Study

Published:2000-02-16 Issue:11 Volume:104 Page:2384-2395
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Wei ¹,Proynov E. I.¹,Milet A.¹,Salahub D. R.¹

Affiliation:

1. Département de chimie, Université de Montréal, C.P. 6128 Succursale Centre-ville, Montréal, Québec, H3C 3J7, Canada, and Centre de Recherche en Calcul Appliqué (CERCA), 5160, boul. Décarie, bureau 400, Montreal, Quebec, H3X 2H9 Canada, and Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre Dame de la Paix, 61 rue de Bruxelles, 5000 Namur, Belgium

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp992540s

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4. Density-functional exchange-energy approximation with correct asymptotic behavior

5. Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

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