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Discovering chemistry with natural b...

Weinhold, Frank, (1941-)

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Discovering chemistry with natural bond orbitals

Record Type:	Electronic resources : Monograph/item
Title/Author:	Discovering chemistry with natural bond orbitals/ by Frank Weinhold, Clark R. Landis.
Author:	Weinhold, Frank,
other author:	Landis, Clark R.,
Published:	Hoboken, NJ :Wiley, : 2012.,
Description:	1 online resource.
[NT 15003449]:	Discovering Chemistry with Natural Bond Orbitals; Contents; Preface; 1 Getting Started; 1.1 Talking to your electronic structure system; 1.2 Helpful tools; 1.3 General NBO keylist usage; 1.4 Producing orbital imagery; Problems and exercises; 2 Electrons in Atoms; 2.1 Finding the electrons in atomic wavefunctions; 2.2 Atomic orbitals and their graphical representation; 2.3 Atomic electron configurations; 2.4 How to find electronic orbitals and configurations in NBO output; 2.5 Natural atomic orbitals and the natural minimal basis; Problems and exercises; 3 Atoms in Molecules
Subject:	Chemical bonds. -
Online resource:	http://onlinelibrary.wiley.com/book/10.1002/9781118229101
ISBN:	9781118229163 (electronic bk.)

Discovering chemistry with natural bond orbitals
Weinhold, Frank,1941-

Discovering chemistry with natural bond orbitals[electronic resource] /by Frank Weinhold, Clark R. Landis. - Hoboken, NJ :Wiley,2012. - 1 online resource.

Discovering Chemistry with Natural Bond Orbitals; Contents; Preface; 1 Getting Started; 1.1 Talking to your electronic structure system; 1.2 Helpful tools; 1.3 General NBO keylist usage; 1.4 Producing orbital imagery; Problems and exercises; 2 Electrons in Atoms; 2.1 Finding the electrons in atomic wavefunctions; 2.2 Atomic orbitals and their graphical representation; 2.3 Atomic electron configurations; 2.4 How to find electronic orbitals and configurations in NBO output; 2.5 Natural atomic orbitals and the natural minimal basis; Problems and exercises; 3 Atoms in Molecules

"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"--

ISBN: 9781118229163 (electronic bk.)

Standard No.: 9786613689061

LCCN: 2011047575Subjects--Topical Terms:

560512
Chemical bonds.

LC Class. No.: QD461 / .W45 2012eb

Dewey Class. No.: 541.28

Discovering chemistry with natural bond orbitals
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010 $a 2011047575
020 $a 9781118229163 (electronic bk.)
020 $a 9781118229101 (electronic bk.)
020 $a 111822910X (electronic bk.)
020 $a 1118229169 (electronic bk.)
020 $z 9781118119969
020 $z 1118119967
020 $a 1280778679
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024 8 $a 9786613689061
035 $a (OCoLC)801405891 $z (OCoLC)796932657 $z (OCoLC)807573003 $z (OCoLC)817091351
035 $a ocn801405891
040 $a N $c N $d E7B $d IDEBK $d EBLCP $d MERUC $d YDXCP $d CDX $d COO $d IAC $d UIU $d OCLCQ $d DEBSZ $d OCLCQ
050 4 $a QD461 $b .W45 2012eb
082 0 4 $a 541.28 $2 23
100 1 $a Weinhold, Frank, $d 1941- $3 865183
245 1 0 $a Discovering chemistry with natural bond orbitals $h [electronic resource] / $c by Frank Weinhold, Clark R. Landis.
260 $a Hoboken, NJ : $b Wiley, $c 2012.
300 $a 1 online resource.
505 0 $a Discovering Chemistry with Natural Bond Orbitals; Contents; Preface; 1 Getting Started; 1.1 Talking to your electronic structure system; 1.2 Helpful tools; 1.3 General NBO keylist usage; 1.4 Producing orbital imagery; Problems and exercises; 2 Electrons in Atoms; 2.1 Finding the electrons in atomic wavefunctions; 2.2 Atomic orbitals and their graphical representation; 2.3 Atomic electron configurations; 2.4 How to find electronic orbitals and configurations in NBO output; 2.5 Natural atomic orbitals and the natural minimal basis; Problems and exercises; 3 Atoms in Molecules
520 $a "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"-- $c Provided by publisher.
588 $a Description based on print version record.
650 0 $a Chemical bonds. $3 560512
650 0 $a Molecular orbitals. $3 588782
700 1 $a Landis, Clark R., $d 1956- $3 865182
856 4 0 $u http://onlinelibrary.wiley.com/book/10.1002/9781118229101