화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 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
2 Ab-Initio Calculation of Vibrational Absorption and Circular-Dichroism Spectra Using Density-Functional Force-Fields - A Comparison of Local, Nonlocal, and Hybrid Density Functionals
Devlin FJ, Finley JW, Stephens PJ, Frisch MJ
Journal of Physical Chemistry, 99(46), 16883, 1995
3 Ab-Initio Calculation of Vibrational Circular-Dichroism Spectra of Chiral Natural-Products Using Mp2 Force-Fields - Camphor
Devlin FJ, Stephens PJ
Journal of the American Chemical Society, 116(11), 5003, 1994