Ab initio and LMO studies of integrated intensities of infrared absorption bands of polyatomic molecules. Part 1.?Method, application to cyanoacetylene and comparison with semi-empirical ?all-valence? theories
Figeys, Hubert P., Geerlings, Paul, Van Alsenoy, ChristianVolume:
75
Year:
1979
Language:
english
Journal:
Journal of the Chemical Society, Faraday Transactions 2
DOI:
10.1039/f29797500528
File:
PDF, 1.19 MB
english, 1979