NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Collections About News Help Login
Back to Results
Semiclassical and VSCF/VCI Calculations of the Vibrational Energies of trans- and gauche-Ethanol Using a CCSD(T) Potential Energy Surface
External Source
chorus
Document Type
Accepted Manuscript
Authors
Riccardo Conte (Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, 20133 Milano, Italy)
Apurba Nandi (Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States)
Chen Qu (Independent Researcher, Toronto, Ontario M9B0E3, Canada)
Qi Yu (Department of Chemistry Yale University, New Haven, Connecticut 06520, United States)
Paul L. Houston (Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States)
Joel M. Bowman (Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States)
Date Acquired
February 10, 2024
Publication Date
October 14, 2022
Publication Information
Publication: The Journal of Physical Chemistry A
Publisher: American Chemical Society (ACS)
Volume: 126
Issue: 42
Issue Publication Date: October 27, 2022
ISSN: 1089-5639
e-ISSN: 1520-5215
DOI: 10.1021/acs.jpca.2c06322
Funding Number(s)
funding: W911NF-14-1-0471
funding: 80NSSC20K0360
Distribution Limits
Public
Keywords
physical and theoretical chemistry

Available Downloads

There are no available downloads for this record.

Related Records

There are no records associated with this record.
Document Not Available for PreviewClick to Access Document