Quantum Chemical Methods in Main-Group ChemistryISBN: 978-0-471-97242-6
Hardcover
280 pages
November 1998
 This is a Print-on-Demand title. It will be printed specifically to fill your order. Please allow an additional 15-20 days delivery time. The book is not returnable.
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THEORETICAL BACKGROUND OF AB INITIO CALCULATIONS.
Quantum Mechanical Basics.
SCF Calculations.
The Electron Correlation.
Relativistic Effects.
Normal Coordinates and Frequency Analysis.
Population Analysis.
Basis Sets.
APPLIED COMPUTATIONAL QUANTUM CHEMISTRY.
Group 1.
Group 2.
Group 13.
Group 14.
Group 15.
Group 16.
Group 17.
Group 18.
QUALITATIVE VALENCE BOND DESCRIPTIONS OF THE ELECTRONIC STRUCTURES OF SOME ELECTRON-RICH MOLECULES, USING INCREASED-VALENCE THEORY.
Increased-Valence Structures.
References.
Index.
Quantum Mechanical Basics.
SCF Calculations.
The Electron Correlation.
Relativistic Effects.
Normal Coordinates and Frequency Analysis.
Population Analysis.
Basis Sets.
APPLIED COMPUTATIONAL QUANTUM CHEMISTRY.
Group 1.
Group 2.
Group 13.
Group 14.
Group 15.
Group 16.
Group 17.
Group 18.
QUALITATIVE VALENCE BOND DESCRIPTIONS OF THE ELECTRONIC STRUCTURES OF SOME ELECTRON-RICH MOLECULES, USING INCREASED-VALENCE THEORY.
Increased-Valence Structures.
References.
Index.
Related Titles
Computational Chemistry & Molecular Modeling
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