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Recent Experimental and Computational Advances in Molecular Spectroscopy Book

Recent Experimental and Computational Advances in Molecular Spectroscopy
Recent Experimental and Computational Advances in Molecular Spectroscopy, Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic proper, Recent Experimental and Computational Advances in Molecular Spectroscopy has a rating of 3 stars
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Recent Experimental and Computational Advances in Molecular Spectroscopy, Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic proper, Recent Experimental and Computational Advances in Molecular Spectroscopy
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  • Recent Experimental and Computational Advances in Molecular Spectroscopy
  • Written by author R. Fausto
  • Published by Springer-Verlag New York, LLC, September 2007
  • Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic proper
  • Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic proper
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Book Categories

Authors

Preface
Organizing Committees
List of Participants
Protonation of simple unsaturated organic compounds in their electronic ground and low lying excited states1
Application of the CI-singles method in predicting the energy, propertie and reactivity of molecules in their excited states11
Molecular structure from rotational and vibrational transitions in electronic spectra27
From qualitative to quantitative analyses of circular dichroism spectra using the convex constraint algorithm63
Potential energy surfaces and vibrational anharmonicity79
Development of an ab initio based database of vibrational force fields for organic molecules99
Computer-aided methods for the resolution enhancement of spectral data with special emphasis on infrared spectra113
Raman spectroscopy: a survey on selected topics125
[alpha],[beta]-unsaturated carboxylic esters and their hydrogen bond complexes with substituted phenols: vibrational spectra-structure correlations131
Solvent effect on vibrational frequencies of substituted acetaldehydes135
Experimental and ab initio quantum mechanical studies of the vibrational spectra of isolated pyrimidine bases141
Pressure-tuning vibrational spectroscopy: applications from basic molecular spectroscopy to human cancer research171
Vibrational spectroscopy of polyconjugated materials with electrical and non linear optical properties191
Surface molecular spectroscopy207
Neutron molecular spectroscopy229
Recent advances in gas electron diffraction and structural studies by join quantum mechanical and experimental procedures251
Principles of multidimensional high-resolution NMR257
NMR structural techniques in biochemical and bioinorganic systems: paramagnetic shift and relaxation probes279
The physics of an atom in a molecule313
Frontier orbital theory and chemical reactivity: the utility of spectroscopy and molecular orbital calculations351
Semiempirical molecular orbital theory: facts, myths and legends369
The consistent force field: development of potential energy functions for conformational analysis381
Experimental and computational projects on molecular spectroscopy421
Short contributions: titles and authors431
Author index435
Subject index437


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Recent Experimental and Computational Advances in Molecular Spectroscopy, Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic proper, Recent Experimental and Computational Advances in Molecular Spectroscopy

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Recent Experimental and Computational Advances in Molecular Spectroscopy, Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic proper, Recent Experimental and Computational Advances in Molecular Spectroscopy

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Recent Experimental and Computational Advances in Molecular Spectroscopy, Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic proper, Recent Experimental and Computational Advances in Molecular Spectroscopy

Recent Experimental and Computational Advances in Molecular Spectroscopy

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