| 1 |
Hartree-Fock and density functional theory ab initio calculation of optical rotation using GIAOs: Basis set dependence
Cheeseman JR, Frisch MJ, Devlin FJ, Stephens PJ
Journal of Physical Chemistry A, 104(5), 1039, 2000 |
| 2 |
Ab initio density functional theory study of the structure and vibrational spectra of cyclohexanone and its isotopomers
Devlin FJ, Stephens PJ
Journal of Physical Chemistry A, 103(4), 527, 1999 |
| 3 |
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 |
| 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 |
| 5 |
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 |
| 6 |
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 |
