Improved force field of (E)-1,3,5-hexatriene based on deuteriated derivatives

• 1 June 1990
• journal article
• Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
• Vol. 94  (12) , 4809-4819
• https://doi.org/10.1021/j100375a013

Abstract

Keywords

• INFRARED SPECTROSCOPY
• GROUND STATE
• FORCE FIELD
• IR SPECTRA
• COMPUTATIONAL CHEMISTRY
• RAMAN SPECTROSCOPY
• NORMAL MODES