4.4 Article

Assessment of free energy expressions in RISM integral equation theory: theoretical prediction of partition coefficients revisited

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Reference interaction site model study of self-aggregating cyanine dyes

Gennady N. Chuev et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Quantum chemistry in solution by combining 3D integral equation theory with a cluster embedding approach

Thomas Kloss et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

Article Chemistry, Physical

Improved estimates for hydration free energy obtained by the reference interaction site model

Gennady N. Chuev et al.

CHEMICAL PHYSICS LETTERS (2007)

Review Chemistry, Multidisciplinary

Quantum mechanical continuum solvation models

J Tomasi et al.

CHEMICAL REVIEWS (2005)

Article Chemistry, Physical

Integral equation theory of distributed partial wave basis: application to molecular liquids

A Furuhama et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

A path integral influence functional for excess electron in fluids: Density-functional formulation

T Sumi et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

A coupled RISM/MD or MC simulation methodology for solvation free energies

H Freedman et al.

CHEMICAL PHYSICS LETTERS (2003)

Article Chemistry, Physical

The use of distributed partial wave basis for accurate atom-molecule statistical distributions

A Furuhama et al.

JOURNAL OF CHEMICAL PHYSICS (2002)