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ADIABATIC MOLECULAR ORBITAL TRACKING IN AB INITIO MOLECULAR DYNAMICS

Authors :
Asylbek A. Zhanserkeev
Ryan P. Steele
Source :
Proceedings of the 2021 International Symposium on Molecular Spectroscopy.
Publication Year :
2021
Publisher :
University of Illinois at Urbana-Champaign, 2021.

Subjects

Subjects :
Ab initio molecular dynamics
Physics
Molecular orbital
Tracking (particle physics)
Adiabatic process
Molecular physics

Details

Database :
OpenAIRE
Journal :
Proceedings of the 2021 International Symposium on Molecular Spectroscopy
Accession number :
edsair.doi...........029f4574cff85af4effc3a6558c452a6
Full Text :
https://doi.org/10.15278/isms.2021.rl05
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