High Accuracy ab Initio Calculations of Rotational–Vibrational Levels of the HCN/HNC System
Author:
Affiliation:
1. Institute of Applied Physics, Russian Academy of Science, Ulyanov Street 46, Nizhny Novgorod, Russia 603950
2. Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
Funder
Russian Foundation for Basic Research
H2020 European Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b10483
Reference91 articles.
1. Spectroscopic characterization of isomerization transition states
2. Saddle point localization of molecular wavefunctions
3. Ab initio global potential, dipole, adiabatic, and relativistic correction surfaces for the HCN–HNC system
4. Ab initio rotation–vibration spectra of HCN and HNC
5. On the HCN – HNC Energy Difference
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