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Quantum mechanical predictions of chiroptical vibrational properties
Author(s) -
Polavarapu Prasad L.
Publication year - 2006
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.20942
Subject(s) - vibrational circular dichroism , quantum , raman optical activity , raman spectroscopy , molecular vibration , rotation (mathematics) , physics , chemistry , circular dichroism , molecular physics , quantum mechanics , crystallography , geometry , mathematics
The developments in quantum mechanical calculations of vibrational circular dichroism, vibrational Raman optical activity, and vibrational contributions to optical rotation are summarized. Further developments needed in each of these areas are pointed out. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006