Second-order ab initio Moller-Plesset study of optimum chain length for total (electronic plus vibrational) beta(-omega(sub)sigma;omega(sub)1,omega(sub)2) of a prototype push-pull polyene

Authors :: Jacquemin, Denis
Champagne, Benoit
Perpete, Eric A.
Luis, Josep M.
Kirtman, Bernard
Source :: Journal of Physical Chemistry A. Oct 25, 2001, Vol. 105 Issue 42, p9748, 8 p.
Publication Year :: 2001

Subjects :: Chemistry, Physical and theoretical -- Research
Electron mobility -- Analysis
Polyenes -- Research
Vibrational spectra -- Analysis
Chemicals, plastics and rubber industries

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