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Vibrational states of LiCN calculated from an ab initio potential energy surface
Authors:
- Jan Makarewicz,
- Tae-Kyu Ha
Abstract
A high-level ab initio potential energy surface has been calculated for the LiCN molecule. Two linear and one T-shaped minimum energy structures have been found. The linear isocyanide structure of LiCN is the global minimum. The energies of the lowest vibrational states have been predicted and their interaction with the rotational motion has been studied. The molecule is extremely non-rigid. © 1995.
- Record ID
- UAMd98a6011c9df461cbfa1b54cdc081560
- Author
- Journal series
- Chemical Physics Letters, ISSN 0009-2614
- Issue year
- 1995
- Vol
- 232
- Pages
- 497-502
- ASJC Classification
- ;
- DOI
- DOI:10.1016/0009-2614(94)01387-B Opening in a new tab
- Language
- (en) English
- Score (nominal)
- 0
- Score source
- journalList
- Publication indicators
- = 11; : 1999 = 0.992; : 2006 (2 years) = 2.462 - 2007 (5 years) =2.392
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- Uniform Resource Identifier
- https://researchportal.amu.edu.pl/info/article/UAMd98a6011c9df461cbfa1b54cdc081560/
- URN
urn:amu-prod:UAMd98a6011c9df461cbfa1b54cdc081560
* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or PerishOpening in a new tab system.