Recent Experimental and Computational Advances in Molecular Spectroscopy [E-Book] / edited by R. Fausto.
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 properties for small molecular systems. The theoret...
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Full text |
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Personal Name(s): | Fausto, R., editor |
Imprint: |
Dordrecht :
Springer,
1993
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Physical Description: |
XIX, 454 p. online resource. |
Note: |
englisch |
ISBN: |
9789401119740 |
DOI: |
10.1007/978-94-011-1974-0 |
Series Title: |
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NATO ASI Series, Series C: Mathematical and Physical Sciences ;
406 |
Subject (LOC): |
- 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.