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Internal rotation and kerr effect in polymer molecules

โœ Scribed by Nagai, Kazuo ;Ishikawa, Toshihide


Publisher
Wiley (John Wiley & Sons)
Year
2007
Weight
73 KB
Volume
15
Category
Article
ISSN
0449-2994

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๐Ÿ“œ SIMILAR VOLUMES


Internal rotation in conjugated molecule
โœ Martin Head-Gordon; John A. Pople ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 476 KB

Calculations of the barrier and associated one-dimensional torsional potential are reported for internal rotation of the nitro group in nitroethylene and nitrobenzene. In these conjugated molecules, inclusion of electron correlation is shown to be necessary for reliable barrier predictions, in contr