Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy

Author:

Roy Tapta Kanchan1234ORCID,Kopysov Vladimir56789,Pereverzev Aleksandr56789,Šebek Jiří10111213,Gerber R. Benny14151617ORCID,Boyarkin Oleg V.56789ORCID

Affiliation:

1. Department of Chemistry and Chemical Sciences

2. Central University of Jammu

3. Jammu 181143

4. India

5. Laboratoire de Chimie Physique Molèculaire

6. École Polytechnique

7. Fèdèrale de Lausanne

8. 1015 Lausanne

9. Switzerland

10. Department of Physical Chemistry

11. University of Chemistry and Technology

12. Prague

13. Czech Republic

14. Institute of Chemistry

15. The Hebrew University Jerusalem 91904 (Israel) and Department of Chemistry

16. University of California Irvine

17. USA

Abstract

Intrinsic structure of pentapeptide Leu-enkephalin: quantum VSCF calculations meet cold ion spectroscopy.

Funder

Science and Engineering Research Board

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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