VCD spectroscopy for organic chemists / Philip J. Stephens, Frank J. Devlin, James R. Cheeseman.

Por: Stephens, Philip J, 1940-Colaborador(es): Devlin, Frank J, 1949- | Cheeseman, James R, 1963-Tipo de material: TextoTextoDetalles de publicación: Boca Raton : CRC Press, c2012. Descripción: x, 360 p. : ill. (some col.) ; 25 cmISBN: 9781439821718Tema(s): VCD | Espectros de vibración | Vibrational spectra | Vibrational circular dichroism
Contenidos incompletos:
Introduction to Vibrational Circular Dichroism The Experimental Measurement of Vibrational Absorption and Vibrational Circular Dichroism Spectra Vibrational Absorption Measurement VCD Measurement IR Absorption and VCD Spectra of Specific Molecules Camphor I -Pinene The Theory of IR and VCD Spectra Ab Initio Methods Molecular Orbital Theory Application of Analytical Derivative DFT Techniques to the Calculation of Forces, Hessian, APTs, and AATs Origin Dependence of the AATs Classification of Basis Sets Functionals for DFT Computational Procedures Integration Grids IR and VCD Spectra Calculation Conformational Analysis Analyses of the IR and VCD Spectra of Conformationally Rigid Molecules Camphor I -Pinene Methyloxirane Determination of Absolute Configuration Applications of VCD Spectroscopy to Organic Chemistry Troger's Base 2-(1-Hydroxyethyl)-Chromen-4-One and Its 6-Br Derivative The Supramolecular Tetramer of 2,2'-Dimethyl-Biphenyl-6,6'-Dicarboxylic Acid Trans-Para-Methyl-Phenyl-Glycidic Acid The Cytotoxic Sesquiterpene Natural Product, Quadrone A Chiral Oxadiazol-3-One Calcium Channel Blocker The Alkaloid Natural Product, Schizozygine The Iridoid Natural Product, Plumericin The Chiral Alkane, D3-Anti-Trans-Anti-Trans-Anti-Trans-Perhydrotriphenylene The Isotopically Chiral Sulfoxide, Perdeuteriophenyl-Phenyl-Sulfoxide The Sex Pheromone of the Obscure Mealybug A Thia-Bridged Triarylamine Heterohelicene Enone Precursor to Nor-Suberosenone and Nor-Suberosanone
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Includes bibliographical references (p. 289-344) and index.

Introduction to Vibrational Circular Dichroism The Experimental Measurement of Vibrational Absorption and Vibrational Circular Dichroism Spectra Vibrational Absorption Measurement VCD Measurement IR Absorption and VCD Spectra of Specific Molecules Camphor I -Pinene The Theory of IR and VCD Spectra Ab Initio Methods Molecular Orbital Theory Application of Analytical Derivative DFT Techniques to the Calculation of Forces, Hessian, APTs, and AATs Origin Dependence of the AATs Classification of Basis Sets Functionals for DFT Computational Procedures Integration Grids IR and VCD Spectra Calculation Conformational Analysis Analyses of the IR and VCD Spectra of Conformationally Rigid Molecules Camphor I -Pinene Methyloxirane Determination of Absolute Configuration Applications of VCD Spectroscopy to Organic Chemistry Troger's Base 2-(1-Hydroxyethyl)-Chromen-4-One and Its 6-Br Derivative The Supramolecular Tetramer of 2,2'-Dimethyl-Biphenyl-6,6'-Dicarboxylic Acid Trans-Para-Methyl-Phenyl-Glycidic Acid The Cytotoxic Sesquiterpene Natural Product, Quadrone A Chiral Oxadiazol-3-One Calcium Channel Blocker The Alkaloid Natural Product, Schizozygine The Iridoid Natural Product, Plumericin The Chiral Alkane, D3-Anti-Trans-Anti-Trans-Anti-Trans-Perhydrotriphenylene The Isotopically Chiral Sulfoxide, Perdeuteriophenyl-Phenyl-Sulfoxide The Sex Pheromone of the Obscure Mealybug A Thia-Bridged Triarylamine Heterohelicene Enone Precursor to Nor-Suberosenone and Nor-Suberosanone

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