Recent Experimental and Computational Advances in Molecular Spectroscopy [E-Book] / edited by R. Fausto.
Fausto, R., (editor)
Dordrecht : Springer, 1993
XIX, 454 p. online resource.
NATO ASI Series, Series C: Mathematical and Physical Sciences ; 406
Full Text
Table of Contents:
  • Content
  • Protonation of simple unsaturated organic compounds in their electronic ground and low lying excited states
  • Application of the CI-singles method in predicting the energy, propertie and reactivity of molecules in their excited states
  • Molecular sructure from rotational and vibrational transitions in electronic spectra
  • From qualitative to quantitative analyses of circular dichroism spectra using the convex constraint algorithm
  • Potential energy surfaces and vibrational anharmonicity
  • Development of an ab initio based database of vibrational force fields for organic molecules
  • Computer-aided methods for the resolution enhancement of spectral data with special emphasis on infrared spectra
  • Raman spectroscopy: a survey on selected topics
  • ?,ß-unsaturated carboxylic esters and their hydrogen bond complexes with substituted phenols: vibrational spectra-structure correlations
  • Solvent effect on vibrational frequencies of substituted acetaldehydes
  • Experimental and ab initio quantum mechanical studies of the vibrational spectra of isolated pyrimidine bases
  • Pressure-tuning vibrational spectroscopy: applications from basic molecular spectroscopy to human cancer research
  • Vibrational spectroscopy of polyconjugated materials with electrical and non linear optical properties
  • Surface molecular spectroscopy
  • Neutron molecular spectroscopy
  • Recent advances in gas electron diffraction and structural studies by join quantum mechanical and experimental procedures
  • Principles of multidimensional high-resolution NMR
  • NMR structural techniques in biochemical and bioinorganic systems: paramagnetic shift and relaxation probes
  • The physics of an atom in a molecule
  • Frontier orbital theory and chemical reactivity: the utility of spectroscopy and molecular orbital calculations
  • Semiempirical molecular orbital theory: facts, myths and legends
  • The consistent force field: development of potential energy functions for conformational analysis
  • Experimental and computational projects on molecular spectroscopy
  • Short contributions: titles and authors
  • Author index.