Skip to content
RDL
Network
Ecosystem
Switch app
TR
About
FAQ
Sign in
Get started
A benchmark test suite for proton transfer energies and its use to test electronic structure model chemistries — Santhanamoorthi Nachimuthu (2012) | RDL Network
Back
Cite
Save
Save for later
Share
Home
Publications
A benchmark test suite for proton transfer energies and its use to test electronic structure model chemistries
Shared by
Donald G Truhlar
A benchmark test suite for proton transfer energies and its use to test electronic structure model chemistries
Article
2012
en
Authors
SN
Santhanamoorthi Nachimuthu
JG
Jiali Gao
Donald G Truhlar
Discussion
(0)
Sign in
to like and join the discussion.
No comments yet. Be the first to comment.
Related publications
Article
2012
Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure Methods
Yan Zhao
,
Hou T. Ng
,
Roberto Peverati
,
Donald G Truhlar
Article
2009
The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights
Jingjing Zheng
,
Yan Zhao
,
Donald G Truhlar
Article
2004
Benchmark Results for Hydrogen Atom Transfer between Carbon Centers and Validation of Electronic Structure Methods for Bond Energies and Barrier Heights
Agnieszka Dybała‐Defratyka
,
Piotr Paneth
,
Jingzhi Pu
,
Donald G Truhlar
Article
2006
Benchmark Database of Barrier Heights for Heavy Atom Transfer, Nucleophilic Substitution, Association, and Unimolecular Reactions and its Use to Test Theoretical Methods
Yan Zhao
,
Núria González‐García
,
Donald G Truhlar
Article
2005
Benchmark Database of Barrier Heights for Heavy Atom Transfer, Nucleophilic Substitution, Association, and Unimolecular Reactions and Its Use to Test Theoretical Methods
Yan Zhao
,
Núria González‐García
,
Donald G Truhlar
Discussion(0)
No comments yet. Be the first to comment.