Ab initio molecular dynamics studies on the lowest triplet and singlet potential surfaces of the azide cation: Anharmonic effects on the vibrational spectra of linear and cyclic N3+
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference35 articles.
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1. High-resolution electronic and vibrational spectroscopy of small-to-medium sized molecules with ab initio potential energy surface;Electronic Structure;2023-02-14
2. Photodissociation dynamics of N3+;The Journal of Chemical Physics;2022-03-28
3. N3+: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics;The Journal of Chemical Physics;2020-07-28
4. Towards completing the cyclopropenylidene cycle: rovibrational analysis of cyclic N3+, CNN, HCNN+, and CNC−;Physical Chemistry Chemical Physics;2017
5. On the thermal stability of the branched hexasulfane isomers. A DFT molecular dynamics study of H2S6 conformers;Chemical Physics Letters;2014-06
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