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- [3] Determination of absolute configuration using ab initio density functional theory vibrational circular dichroism spectroscopyABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 418 - ORGNStephens, PJDevlin, FJAshvar, CSFinley, JWCheeseman, JRFrisch, MJ
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- [6] Ab initio prediction of vibrational absorption and circular dichroism spectra of chiral natural products using density functional theory: Camphor and FenchoneJOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (35): : 6322 - 6333Devlin, FJStephens, PJCheeseman, JRFrisch, MJ
- [7] Comparison of different density functional theory methods for the calculation of vibrational circular dichroism spectraCHIRALITY, 2023, 35 (10) : 753 - 765Gross, JonathanKuehlborn, JonasPusch, StefanWeber, CarinaAndernach, LarsRenzer, GalitEckhardt, PaulBrauer, JanOpatz, Till
- [8] Prediction of vibrational circular dichroism spectra using density functional theory: Camphor and fenchoneJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (26) : 6327 - 6328Devlin, FJStephens, PJCheeseman, JRFrisch, MJ
- [9] AB-INITIO CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM SPECTRA USING GAUGE-INVARIANT ATOMIC ORBITALSJOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (41): : 14918 - 14922BAK, KLDEVLIN, FJASHVAR, CSTAYLOR, PRFRISCH, MJSTEPHENS, PJ
- [10] AB-INITIO CALCULATION OF VIBRATIONAL ABSORPTION AND CIRCULAR-DICHROISM SPECTRA USING DENSITY-FUNCTIONAL FORCE-FIELDS - A COMPARISON OF LOCAL, NONLOCAL, AND HYBRID DENSITY FUNCTIONALSJOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (46): : 16883 - 16902DEVLIN, FJFINLEY, JWSTEPHENS, PJFRISCH, MJ