Theoretical calculations: Can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?

E-ISSN： 1096-987x|28|9|1598-1609

ISSN： 0192-8651

Source： JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.28, Iss.9, 2007-07, pp. : 1598-1609

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

A Large Deviation Principle for the free energy of random Gibbs measures with application to the REM

By Fedrigo M. Flandoli F. Morandin F.

Annali di Matematica Pura ed Applicata, Vol. 186, Iss. 3, 2007-07 ,pp. : 381-417

Springer Publishing Company

Access to resources Recommend Favorite

Simple Method for Prediction of the Standard Gibbs Free Energy of Formation of Energetic Compounds

PROPELLANTS, EXPLOSIVES, PYROTECHNICS, Vol. 39, Iss. 6, 2014-12 ,pp. : 815-818

John Wiley & Sons Inc

Access to resources Recommend Favorite

Intermolecular Interactions in Ionic Complexes

By Dopfer Otto

CHIMIA International Journal for Chemistry, Vol. 53, Iss. 5, 1999-05 ,pp. : 192-193

Swiss Chemical Society

Access to resources Recommend Favorite

QSPR Modeling of Gibbs Free Energy of Organic Compounds by Weighting of Nearest Neighboring Codes

By Castro E. Toropova A. Toropov A. Mukhamedjanova D.

Structural Chemistry, Vol. 16, Iss. 3, 2005-06 ,pp. : 305-324

Springer Publishing Company

Access to resources Recommend Favorite

Free Energy Calculations using a Swarm‐Enhanced Sampling Molecular Dynamics Approach

CHEMPHYSCHEM, Vol. 16, Iss. 15, 2015-10 ,pp. : 3233-3241

John Wiley & Sons Inc

Access to resources Recommend Favorite