Extrapolation of water and formaldehyde harmonic and...

Journal of Molecular Modeling 2011 / 08 Vol. 17; Iss. 8

Extrapolation of water and formaldehyde harmonic and anharmonic frequencies to the B3LYP/CBS limit using polarization consistent basis sets

Aneta Buczek, Teobald Kupka, Małgorzata A. Broda
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Volume:
17
Language:
english
Pages:
12
DOI:
10.1007/s00894-010-0913-3
Date:
August, 2011
File:
PDF, 282 KB
english, 2011
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