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Discovering chemistry with natural bond orbitals[electronic resource] /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
杜威分類號:	541.28
書名/作者:	Discovering chemistry with natural bond orbitals/ by Frank Weinhold, Clark R. Landis.
作者:	Weinhold, Frank,
其他作者:	Landis, Clark R.,
出版者:	Hoboken, NJ : : Wiley,, 2012.
面頁冊數:	1 online resource.
標題:	Chemical bonds.
標題:	Molecular orbitals.
ISBN:	9781118229163 (electronic bk.)
ISBN:	9781118229101 (electronic bk.)
ISBN:	111822910X (electronic bk.)
ISBN:	1118229169 (electronic bk.)
ISBN:	1280778679
ISBN:	9781280778674
內容註:	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
摘要、提要註:	"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"--
電子資源:	http://onlinelibrary.wiley.com/book/10.1002/9781118229101

Discovering chemistry with natural bond orbitals[electronic resource] /
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:

214317
Chemical bonds.

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

Dewey Class. No.: 541.28

Discovering chemistry with natural bond orbitals[electronic resource] /
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020 $a 9781118229101 (electronic bk.)
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020 $a 1118229169 (electronic bk.)
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100 1 $a Weinhold, Frank, $d 1941- $3 519494
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 214317
650 0 $a Molecular orbitals. $3 584248
700 1 $a Landis, Clark R., $d 1956- $3 622525
856 4 0 $u http://onlinelibrary.wiley.com/book/10.1002/9781118229101