Molecular Structure: Understanding Steric and Electronic Effects from Molecular Mechanics

Molecular Structure delivers the essential fundamentals on both the ab initio, semi-empirical molecular orbital, and molecular mechanics calculations. Discussing various electronic effects, particularly stereoelectronic effects.
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• Molecular Structure: Understanding Steric and Electronic Effects from Molecular Mechanics
• Molecular Structure : Understanding Steric and Electronic Effects from Molecular Mechanics
• Norman L. Allinger - Publications
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He is known for his use of computational chemistry, especially molecular mechanics, to solve a variety of chemical problems. Would you like to tell us about a lower price? If you are a seller for this product, would you like to suggest updates through seller support? Learn more about Amazon Prime.

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5. Molecular structure : understanding steric and electronic effects from molecular mechanics.

A guide to analyzing the structures and properties of organicmolecules Until recently, the study of organic molecules has traveled downtwo disparate intellectual paths—the experimental, orphysical, method and the computational, or theoretical, method. Molecular Structure delivers the essential fundamentalson both the experimental and computational methods, then goesfurther to show how these approaches can join forces to producemore effective analysis of the structure and properties of organiccompounds by: Looking at experimental structures: Read more Read less.

Prime Book Box for Kids. Review "The book is written in an informal style, designed to appeal to the non-specialist, and should be accessible to anybody with a background in chemistry. Wiley; 1 edition August 2, Language: Related Video Shorts 0 Upload your video.

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Try the Kindle edition and experience these great reading features: Share your thoughts with other customers. Write a customer review. There was a problem filtering reviews right now. Please try again later. Kindle Edition Verified Purchase. There are two approaches to modern computational chemistry. On one hand, one can approach from a quantum mechanical point of view.

This approach can be sub-divided into the wave function and non wave function methods. Ab initio calculations belong to the former and density functional theory belongs to the latter. The second approach is called molecular mechanics. He is known for his use of computational chemistry, especially molecular mechanics, to solve a variety of chemical problems.

Table of contents Reviews Foreword. What, Exactly, is a Molecular Structure?

Molecular Mechanics in Crystallography. Nuclear Magnetic Resonance Spectra A Brief History of Computers. Semiempirical Quantum Mechanical Methods. Vibrational Motions of Compressed Hydrogens. Extension of The Alkane Force Field. Functional Groups in Molecular Mechanics. Structures of Conjugated Hydrocarbons. Structures of Conjugated Heterocycles. Electronegativity Effect on Bond Lengths.

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Chemistry for Biologists David Reed. Organic Chemistry As a Second Language: First Semester Topics David R. Chemistry 3 Gwen M. Table of contents Foreword. What, Exactly, is a Molecular Structure? Molecular Mechanics in Crystallography. Nuclear Magnetic Resonance Spectra A Brief History of Computers. Semiempirical Quantum Mechanical Methods. Urey Bradley Force Field.

Miller s Nuclear Explosion. Vibrational Motions of Compressed Hydrogens.

Extension of The Alkane Force Field. Functional Groups in Molecular Mechanics.