Semiclassical and VSCF/VCI Calculations of the Vibrational Energies of <i>trans</i>- and <i>gauche</i>-Ethanol Using a CCSD(T) Potential Energy Surface-Reference-Cited by-同舟云学术

Semiclassical and VSCF/VCI Calculations of the Vibrational Energies of trans- and gauche-Ethanol Using a CCSD(T) Potential Energy Surface

Author:

Conte Riccardo¹^ORCID,Nandi Apurba²^ORCID,Qu Chen³,Yu Qi⁴^ORCID,Houston Paul L.⁵⁶^ORCID,Bowman Joel M.²^ORCID

Affiliation:

1. Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, 20133 Milano, Italy

2. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States

3. Independent Researcher, Toronto, Ontario M9B0E3, Canada

4. Department of Chemistry Yale University, New Haven, Connecticut 06520, United States

5. Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States

6. Department of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, United States

Funder

Universit? degli Studi di Milano

Army Research Office

National Aeronautics and Space Administration

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

Reference77 articles.

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献