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Jensen, Frank

Introduction to computational chemistry / Computational chemistry Frank Jensen - xvi, 429 pages : illustrations ; 26 cm

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

ISBN: 0471980854 9780471980858 0471984256 9780471984252

Subjects--Topical Terms:
Chemistry, Physical and theoretical--Data processing
Chemistry, Physical and theoretical--Mathematics

LC Class. No.: QD455.3.E4 / I46 2004

Dewey Class. No.: