Skip to content
RDL
Network
Ecosystem
Switch app
TR
About
FAQ
Sign in
Get started
Simple perturbation theory estimates of equilibrium constants from force fields — Donald G Truhlar (1991) | RDL Network
Back
Cite
Save
Save for later
Share
Home
Publications
Simple perturbation theory estimates of equilibrium constants from force fields
Shared by
Donald G Truhlar
Simple perturbation theory estimates of equilibrium constants from force fields
Article
1991
en
Authors
Donald G Truhlar
AI
Alan D. Isaacson
Abstract
1 min read
We propose and test a very simple method for calculating equilibrium constants from quartic force fields.
Discussion
(0)
Sign in
to like and join the discussion.
No comments yet. Be the first to comment.
Related publications
Chapter in a book
2016
Explicit Polarization Theory
Yingjie Wang
,
Michael J. M. Mazack
,
Donald G Truhlar
,
Jiali Gao
Letter
2008
Improved Description of Nuclear Magnetic Resonance Chemical Shielding Constants Using the M06-L Meta-Generalized-Gradient-Approximation Density Functional
Yan Zhao
,
Donald G Truhlar
Article
2003
Using bond-length-dependent transferable force constants to predict vibrational entropies in Au-Cu, Au-Pd, and Cu-Pd alloys
Eric J. Wu
,
Gerbrand Ceder
,
Axel van de Walle
Article
1980
Rate constants and equilibrium constants for thiol-disulfide interchange reactions involving oxidized glutathione
Richard P. Szajewski
,
George M M Whitesides
Article
2012
Lattice constants from semilocal density functionals with zero-point phonon correction
Hao Pan
,
Yuan Fang
,
Jianwei Sun
,
Gábor I. Csonka
,
Pier Philipsen
,
John P Perdew
Discussion(0)
No comments yet. Be the first to comment.