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โœฆ   LIBER   โœฆ

Molecular Structure (Understanding Steric and Electronic Effects from Molecular Mechanics) || Concluding Remarks

โœ Scribed by Allinger, Norman L.


Publisher
John Wiley & Sons, Inc.
Year
2010
Tongue
English
Weight
571 KB
Edition
1
Category
Article
ISBN
0470195576

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โœฆ Synopsis


A Guide To Analyzing The Structures And Properties Of Organic Molecules. Until Recently, The Study Of Organic Molecules Has Traveled Down Two Disparate Intellectual Paths--the Experimental, Or Physical, Method And The Computational, Or Theoretical, Method. Working Somewhat Independently Of Each Other, These Disciplines Have Guided Research For Decades, But They Are Now Being Combined Efficiently Into One Unified Strategy. Molecular Structure Delivers The Essential Fundamentals On Both The Experimental And Computational Methods, Then Goes Further To Show How These Approaches Can Join Forces To P. Molecular Structure; Contents; Foreword; Preface; Acknowledgments; 1 Introduction; 2 Experimental Molecular Structures; 3 Molecular Structures By Computational Methods; 4 Molecular Mechanics Of Alkanes; 5 Conjugated Systems; 6 Effects In Organic Chemistry; 7 More Effects -- Negative Hyperconjugation; 8 Additional Stereochemical Effects In Carbohydrates; 9 Lewis Bonds; 10 Crystal Structure Calculations; 11 Heats Of Formation; Concluding Remarks; Appendix; Index. Norman L. Allinger. Includes Bibliographical References And Index.


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We might begin this discussion with the following question: Why do you want to calculate something? The answer to this question, as given by Lord Kelvin, president 3 MOLECULAR STRUCTURES BY COMPUTATIONAL METHODS \* \* Two general references on the subject of computational chemistry will be cited her