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Accurate ab initio prediction of molecular geometries and spectroscopic constants, using SCF and MP2 energy derivatives
Handy, Nicholas C., Gaw, Jeffrey F., Simandiras, Emmanuel D.Volume:
83
Year:
1987
Language:
english
Journal:
Journal of the Chemical Society, Faraday Transactions 2
DOI:
10.1039/f29878301577
File:
PDF, 1.34 MB
english, 1987