Discovering chemistry with natural bond orbitals / [by] Frank Weinhold [and] Clark R. Landis.

By:

Weinhold, Frank

Contributor(s):

Landis, Clark R

Material type: Text

TextPublication details: New Jersey : John Wiley, c2012.Description: xii, 319 p. : ill. ; 24 cmISBN:

9781118119969 (pbk) :

Subject(s):

DDC classification:

23rd 541.28 WEI/D

LOC classification:

QD461 .W45 2012

Other classification:

SCI013050

Summary: "This book is about chemical bonds, their intrinsic energies and the corresponding dissociation energies which are relevant in reactivity problems; it is the first book to detail relatively uncomplicated but physically meaningful approaches to molecular properties, an area important to help understand chemical principles and predict chemical properties. The primary goal of this book is to enable students to gain proficiency in using the NBO program to re-express complex many-electron wavefunctions in terms of intuitive chemical concepts and orbital imagery, with minimal distractions from underlying mathematical or programming details"

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Holdings
Item type	Current library	Call number	Status	Date due	Barcode
Reference Book	Transit Campus Chemistry	541.28 WEI/D (Browse shelf(Opens below))	Available		000837

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Previous	541.28 LOWE/Q Quantum chemistry /	541.28 SCH/Q Quantum chemistry : the development of ab initio methods in molecular electronic structure theory /	541.28 SCH/Q Quantum Mechanics in Chemistry/	541.28 WEI/D Discovering chemistry with natural bond orbitals /	541.28 WOO/C [The] Conservation of orbital symmetry/	541.28 ZHA/T Theory and application of quantum molecular dynamics/	541.280285 QUI/C Computational quantum chemistry: an interactive guide to basic set theory/	Next

Includes index.

"This book is about chemical bonds, their intrinsic energies and the corresponding dissociation energies which are relevant in reactivity problems; it is the first book to detail relatively uncomplicated but physically meaningful approaches to molecular properties, an area important to help understand chemical principles and predict chemical properties. The primary goal of this book is to enable students to gain proficiency in using the NBO program to re-express complex many-electron wavefunctions in terms of intuitive chemical concepts and orbital imagery, with minimal distractions from underlying mathematical or programming details"

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