Development of additive isotropic site potential for exchange-repulsion energy, based on intermolecular perturbation theory

Author： Yokogawa Daisuke Sato Hirofumi Gusarov Sergey Kovalenko Andriy

Publisher： NRC Research Press

ISSN： 1480-3291

Source： Canadian Journal of Chemistry, Vol.87, Iss.12, 2009-12, pp. : 1727-1732

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Calculating thermodynamic properties from perturbation theory - I. An analytic representation of square-well potential hard-sphere perturbation theory

By Zhang B.-J.

Fluid Phase Equilibria, Vol. 154, Iss. 1, 1999-01 ,pp. : 1-10

Elsevier

Access to resources Recommend Favorite

Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theory

By Patkowski Konrad Szalewicz Krzysztof Jeziorski Bogumil

Theoretical Chemistry Accounts, Vol. 127, Iss. 3, 2010-10 ,pp. : 211-221

Springer Publishing Company

Access to resources Recommend Favorite

Molecular simulation of intermolecular attraction and repulsion in coexisting liquid and vapour phases

By Plackov D. Sadus R.J.

Fluid Phase Equilibria, Vol. 134, Iss. 1, 1997-06 ,pp. : 77-85

Elsevier

Access to resources Recommend Favorite

Intermolecular Potential for Oxygen

By Miyano Y.

Fluid Phase Equilibria, Vol. 104, Iss. unknown, 1995-03 ,pp. : 71-81

Elsevier

Access to resources Recommend Favorite

Concept Development of Optimal Mine Site Energy Supply

By Carvalho Monica Millar Dean L.

Energies, Vol. 5, Iss. 11, 2012-11 ,pp. : 4726-4745

MDPI

Access to resources Recommend Favorite