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The efficient computation of conformational energy surfaces using SCF molecular orbital methods

✍ Scribed by D. Warner; P.W. Borthwick


Book ID
104155282
Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
110 KB
Volume
54
Category
Article
ISSN
0022-5193

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The use of ab initio quantum chemical methods to aid in the interpretation of resonance Raman spectra is illustrated with examples where the resonant electronic absorption spectra are unstructured. In such cases only the gradient of the excited electronic state potential energy surface at the ground