Skip to content
RDL
Network
Ecosystem
Switch app
TR
About
FAQ
Sign in
Get started
Electronic structure data of singlet N4 — Zoltán Varga | RDL Network
Back
Cite
Save
Save for later
Share
Home
Publications
Electronic structure data of singlet N4
Shared by
Donald G Truhlar
Electronic structure data of singlet N4
Dataset
en
Authors
ZV
Zoltán Varga
YP
Yuliya Paukku
Donald G Truhlar
Abstract
1 min read
Calculated electronic structure energies by CASPT2/maug-cc-pVTZ and CCSD(T)/maug-cc-pVTZ for 21406 geometry points of the singlet N₄ system. These points can be used to fit the global potential energy surface of the ground state of singlet N₄.
Discussion
(0)
Sign in
to like and join the discussion.
No comments yet. Be the first to comment.
Related publications
Article
2013
Global <i>ab initio</i> ground-state potential energy surface of N4
Yuliya Paukku
,
Ke Yang
,
Zoltán Varga
,
Donald G Truhlar
Article
2017
Potential energy surfaces of quintet and singlet O<sub>4</sub>
Yuliya Paukku
,
Ke Yang
,
Zoltán Varga
,
Guoliang Song
,
Jason D. Bender
,
Donald G Truhlar
Article
2018
Potential energy surface of triplet O4
Yuliya Paukku
,
Zoltán Varga
,
Donald G Truhlar
Article
2016
Potential energy surface of triplet N2O2
Zoltán Varga
,
Rubén Meana‐Pañeda
,
Guoliang Song
,
Yuliya Paukku
,
Donald G Truhlar
Dataset
Adiabatic and Diabatic Energy Data for the Ground and First Excited Singlet States of CH₃NH₂
Kelsey A. Parker
,
Donald G Truhlar
Discussion(0)
No comments yet. Be the first to comment.