Ab Initio Prediction of Vibrational Absorption and Circular Dichroism Spectra of Chiral Natural Products Using Density Functional Theory: Camphor and Fenchone

Prediction of Vibrational Circular Dichr

Prediction of Vibrational Circular Dichroism Spectra Using Density Functional Theory: Camphor and Fenchone

✍ Devlin, F. J.; Stephens, P. J.; Cheeseman, J. R.; Frisch, M. J. 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 99 KB

Ab Initio Calculation of Vibrational Cir

Ab Initio Calculation of Vibrational Circular Dichroism Spectra of Chiral Natural Products Using MP2 Force Fields: Camphor

✍ Devlin, F. J.; Stephens, P. J. 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 260 KB

Ab Initio Calculation of Vibrational Abs

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

✍ Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. 📂 Article 📅 1994 🏛 American Chemical Society 🌐 English ⚖ 498 KB

Determination of Intermolecular Hydrogen

Determination of Intermolecular Hydrogen Bonded Conformers of α-Aryloxypropanoic Acids Using Density Functional Theory Predictions of Vibrational Absorption and Vibrational Circular Dichroism Spectra

✍ He, Jiangtao; Polavarapu, Prasad L. 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 204 KB

Determination of the Absolute Configurat

Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin.

✍ P. J. Stephens; J. J. Pan; F. J. Devlin; K. Krohn; T. Kurtan 📂 Article 📅 2007 🏛 John Wiley and Sons ⚖ 15 KB 👁 1 views

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Determination of the Absolute Configurat

Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin

✍ Stephens, P. J.; Pan, J. J.; Devlin, F. J.; Krohn, K.; Kurtán, T. 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 859 KB