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Correlation between intramolecular bond distances and stretching vibrations for polar molecules: An ab initio study
Uppsala University.
Uppsala University.
1997 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 63, no 2, 537-546 p.Other (Other scientific)
Abstract [en]

The correlation between intramolecular bond length and vibrational frequency shifts was calculated at the MP4(aug-cc-PVTZ) ab initio level for a number of molecules (LiH, BH, HF, OH-, HDO, BF, CN-, and HCl) exposed to uniform electric fields in the range

Place, publisher, year, pages
JOHN WILEY & SONS INC , 1997. Vol. 63, no 2, 537-546 p.
Keyword [en]
GAUSSIAN-BASIS SETS; WATER-MOLECULES; FREQUENCY; ICE; INTENSITY; HYDROGEN; SPECTRA
Identifiers
URN: urn:nbn:se:uu:diva-79982OAI: oai:DiVA.org:uu-79982DiVA: diva2:107896
Note
Addresses: Hermansson K, UNIV UPPSALA, DEPT CHEM, BOX 538, S-75121 UPPSALA, SWEDEN. INNSBRUCK UNIV, DEPT INORGAN CHEM, A-6020 INNSBRUCK, AUSTRIA.Available from: 2008-10-17 Created: 2008-10-17

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