Theoretical and Computational Models for Organic Chemistry
Language: English
Published by Springer, 1991
- Hardcover
- New
Seller: AHA-BUCH GmbH, Einbeck, GermanyAHA-BUCH GmbH
AbeBooks seller since August 14, 2006
Condition: New
£ 122.05
Quantity: 2 available
Add to basketItem description from seller
Druck auf Anfrage Neuware - Printed after ordering - Chemistry as an exact science.- Computational bottlenecks in molecular orbital calculations.- Variational transition state theory calculations of concerted hydrogen atom tunneling in water clusters and formaldehyde / water clusters.- Double many-body expansion potential energy surface for O4(3A), dynamics of the O(3P) + O3(1A1) reaction, and second virial coefficients of molecular oxygen.- The self-consistent reaction field model for molecular computations in solution.- New symmetry theorems and similarity rules for transition structures.- A topological analysis of macromolecular folding patterns.- Molecular mechanics.- Predicting the three-dimensional structure of proteins by homology-based model building.- Understanding chemical reactivity through the intersecting-state model.- The states of an electron pair and photochemical reactivity.- Ab-initio modelling of chemical reactivity using MC-SCF and VB methods.- The supra-supra mechanism of forbidden and allowed cycloaddition reactions: an analysis a VB model.- Excited state proton transfer reactions.- An exploratory study to correlate experimental and theoretical acidities of organic molecules.- Molecules with 'volcanic' ground hypersurfaces. Structure, stability and energetics.- Molecular hydrogen as a ligand in transition metal complexes.- Molecular orbital studies of reductive elimination reactions.- Laboratory projects in computational organic chemistry.…
Seller Inventory # 9780792313144
- Title
- Theoretical and Computational Models for Organic Chemistry
- Author
- Imre G Csizmadia
- Publisher
- Springer
- Publication year
- 1991
- Condition
- Neu
- Binding
- Buch
- Language
- English
- ISBN 10
- 0792313143
- ISBN 13
- 9780792313144
- Item weight
- 794 grams
- Dimensions
- 241x160x30 mm
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