Toward large scale vibrational configuration interaction calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3243862
Reference40 articles.
1. Anharmonic vibrational frequencies and vibrationally-averaged structures of key species in hydrocarbon combustion: HCO+, HCO, HNO, HOO, HOO–, CH3 +, and CH3
2. Vibrational analyses for CHFClBr and CDFClBr based on high levelab initiocalculations
3. Multi-level vibrational SCF calculations and FTIR measurements on furazan
4. Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory
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