화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Molecular structure in solution: An ab initio vibrational spectroscopy study of phenyloxirane
Ashvar CS, Devlin FJ, Stephens PJ
Journal of the American Chemical Society, 121(12), 2836, 1999
2 Vibrational absorption and circular dichroism of mono- and dimethyl derivatives of 6,8-dioxabicyclo[3.2.1]octane
Ashvar CS, Devlin FJ, Stephens PJ, Bak KL, Eggimann T, Wieser H
Journal of Physical Chemistry A, 102(34), 6842, 1998
3 Ab-Initio Calculation of Vibrational Absorption and Circular-Dichroism Spectra - 6,8-Dioxabicyclo(3.2.1)Octane
Ashvar CS, Devlin FJ, Bak KL, Taylor PR, Stephens PJ
Journal of Physical Chemistry, 100(22), 9262, 1996
4 Ab-Initio Calculation of Vibrational Circular-Dichroism Spectra Using Gauge-Invariant Atomic Orbitals
Bak KL, Devlin FJ, Ashvar CS, Taylor PR, Frisch MJ, Stephens PJ
Journal of Physical Chemistry, 99(41), 14918, 1995