TY  - BOOK
AU  - Jensen,Frank
TI  - Introduction to computational chemistry
SN  - 0471980854
AV  - QD455.3.E4 I46 2004
PY  - 2004///
CY  - Chichester, New York
PB  - Wiley
KW  - Chemistry, Physical and theoretical
KW  - Data processing
KW  - Mathematics
N1  - Includes bibliographical references and index; -- Force Field Methods; -- Electronic Structure Methods; -- Electron Correlation Methods; -- Basis Sets; -- Density Functional Theory; -- Valence Bond Methods; -- Relativistic Methods; -- Wave Function Analysis; -- Molecular Properties; -- Illustrating the Concepts; -- Transition State Theory and Statistical Mechanics; -- Change of Coordinate System; -- Optimization Techniques; -- Qualitative Theories; -- Simulations, Time-dependent Methods and Solvation Models; -- Concluding Remarks; -- Appendices; -- Index
ER  -