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A flexible method for calculating vibrational spectra of clusters applied to methanol

โœ Scribed by U. Buck; J.G. Siebers

Book ID
106261715
Publisher
Springer
Year
1998
Tongue
English
Weight
372 KB
Volume
1
Category
Article
ISSN
1434-6060

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A new method for the quantum mechanical ~lci~ktion of vibrational force constants is pressted. This method is applied to the calculation of the viirational force constant of Hz, using a mmpktely optimized wavefunction constructed from a sing% gaussian orbitaL The mhe of the face constant obtained us