Introduction to computational chemistry /

Jensen, Frank,

Introduction to computational chemistry / Frank Jensen. - Third edition. - Chichester, West Sussex : Wiley Blackwell, 2017. - 1 volume (638 p.): illustrations, 25 cm.

Includes index.

Force Field Methods Hartree Fock Theory Electron Correlation Methods Basis Sets Density Functional Methods Semi-empirical Methods Valence Bond Methods Relativistic Methods Wave Function Analysis Molecular Properties Illustrating the Concepts Optimization Techniques Statistical Mechanics and Transition State Theory Simulation Techniques Qualitative Theories Mathematical Methods Statistics and QSAR

9781118825990


Chemistry, Physical and theoretical
Chemistry, Physical and theoretical--Data processing.--Mathematics.

541.028 / JEN

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