Essentials Of Computational Chemistry

Author: Christopher J. Cramer
Publisher: John Wiley & Sons
ISBN: 1118712277
Size: 14.18 MB
Format: PDF, Docs
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Reviews of the First Edition "This is an excellent text for graduates or advanced undergraduates in any field of chemistry……the text provides an excellent introduction to the field for students and researchers in any area of chemistry" ...

Essentials Of Computational Chemistry

Author: Christopher J. Cramer
Publisher: John Wiley & Sons
ISBN: 9780470091838
Size: 12.16 MB
Format: PDF
View: 6505
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Reviews of the First Edition "This is an excellent text for graduates or advanced undergraduates in any field of chemistry……the text provides an excellent introduction to the field for students and researchers in any area of chemistry" ...

Introduction To Computational Chemistry

Author: Frank Jensen
Publisher: John Wiley & Sons
ISBN: 1118825950
Size: 70.44 MB
Format: PDF, Mobi
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Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: * Polarizable force ...

Computational Organic Chemistry

Author: Steven M. Bachrach
Publisher: John Wiley & Sons
ISBN: 9780470148129
Size: 46.38 MB
Format: PDF, ePub, Mobi
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With a focus on methodologies, this unique resource: * Discusses simple molecular properties, pericyclic reactions, carbenes and radicals, anion chemistry, solvent effects, and more * Features sidebars that offer a personal look at some of ...

Computational Chemistry

Author: Errol G. Lewars
Publisher: Springer
ISBN: 3319309161
Size: 20.17 MB
Format: PDF, Docs
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This is the third edition of the successful text-reference book that covers computational chemistry.

Modern Quantum Chemistry

Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Size: 11.90 MB
Format: PDF, ePub
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This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

Molecular Modeling Basics

Author: Jan H. Jensen
Publisher: CRC Press
ISBN: 1420075276
Size: 58.47 MB
Format: PDF, ePub, Docs
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Drawn from the author’s own lecture notes from a class he taught for many years at the University of Iowa, this volume introduces topics in such a way that beginners can clearly comprehend molecular modeling results.

Molecular Modelling For Beginners

Author: Alan Hinchliffe
Publisher: John Wiley & Sons
ISBN: 1119964814
Size: 30.16 MB
Format: PDF, Kindle
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The text ends with a discussion of transition states and hybrid models. This text will appeal to student taking undergraduate courses in chemistry, pharmacy, biochemistry, chemical engineering and materials science.

Multiconfigurational Quantum Chemistry

Author: Bj?rn O. Roos
Publisher: John Wiley & Sons
ISBN: 0470633468
Size: 29.71 MB
Format: PDF, ePub, Docs
View: 1708
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Mathematical background -- Molecular orbital theory -- Hartree-Fock theory -- Relativistic effects -- Basis sets -- Second quantization and multiconfigurational wave functions -- Electron correlation -- Multiconfigurational SCF theory -- ...