Reduced dimension discrete variable representation study of cis-trans isomerization in the S1 state of C2H2.

Baraban, J H

Reduced dimension discrete variable representation study of cis-trans isomerization in the S1 state of C2H2. [electronic resource] - The Journal of chemical physics Jun 2011 - 244311 p. digital

Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S.

1089-7690

10.1063/1.3570823 doi


Acetylene--chemistry
Isomerism
Molecular Conformation
Spectrum Analysis
Thermodynamics