Introduction to computational chemistry / Frank Jensen.

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Material type: Text

TextLanguage: English Publication details: Chichester, West Sussex : Wiley Blackwell, 2017.Edition: Third editionDescription: 1 volume (638 p.): illustrations, 25 cmISBN:

9781118825990

Subject(s):

Additional physical formats: Online version:: Introduction to computational chemistryDDC classification:

541.028 23 JEN

Contents:

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

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Holdings
Item type	Current library	Collection	Call number	Status	Date due	Barcode
General Books	CUTN Central Library Sciences	Non-fiction	541.028 JEN (Browse shelf(Opens below))	Available		30372

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Previous	541.011 LEW Computational chemistry :	541.015122 AME Chemical applications of symmetry and group theory /	541.028 CRA Essentials of computational chemistry :	541.028 JEN Introduction to computational chemistry /	541.042 FEH Molecular clusters :	541.042 ROD Descriptive inorganic, coordination, and solid state chemistry /	541.076 KIS Problems in physical chemistry	Next

Includes index.

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