Open AccessADIABATIC MOLECULAR ORBITAL TRACKING IN AB INITIO MOLECULAR DYNAMICS
Author(s) -
Asylbek A. Zhanserkeev,
Ryan P. Steele
Publication year - 2021
Publication title -
proceedings of the 2022 international symposium on molecular spectroscopy
Language(s) - Uncategorized
Resource type - Conference proceedings
DOI - 10.15278/isms.2021.rl05
Subject(s) - molecular dynamics , fragment molecular orbital , adiabatic process , ab initio , tracking (education) , molecular orbital , ab initio quantum chemistry methods , dynamics (music) , physics , molecular physics , chemical physics , statistical physics , computational chemistry , chemistry , molecule , quantum mechanics , psychology , pedagogy , acoustics
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom