عنوان
پدید آورنده
موضوع
رده
QD455.3.E4 J46 1999
QD455
.
3
.
E4
J46
1999
کتابخانه
محل استقرار
INTERNATIONAL STANDARD BOOK NUMBER
(Number (ISBN
0471980854
(Number (ISBN
0471984256
(Number (ISBN
9780471980858
(Number (ISBN
9780471984252
NATIONAL BIBLIOGRAPHY NUMBER
Number
b745894
TITLE AND STATEMENT OF RESPONSIBILITY
Title Proper
Introduction to computational chemistry /
General Material Designation
[Book]
First Statement of Responsibility
Frank Jensen.
.PUBLICATION, DISTRIBUTION, ETC
Place of Publication, Distribution, etc.
New York :
Name of Publisher, Distributor, etc.
Wiley,
Date of Publication, Distribution, etc.
©1999.
PHYSICAL DESCRIPTION
Specific Material Designation and Extent of Item
xvi, 429 pages :
Other Physical Details
illustrations ;
Dimensions
26 cm
INTERNAL BIBLIOGRAPHIES/INDEXES NOTE
Text of Note
Includes bibliographical references and index.
CONTENTS NOTE
Text of Note
Force Field Methods -- Electronic Structure Methods -- Electron Correlation Methods -- Basis Sets -- Density Functional Theory -- Valence Bond Methods -- Relativistic Methods -- Wave Function Analysis -- Molecular Properties -- Illustrating the Concepts -- Transition State Theory and Statistical Mechanics -- Change of Coordinate System -- Optimization Techniques -- Qualitative Theories -- Simulations, Time-dependent Methods and Solvation Models -- Concluding Remarks -- Appendices -- Index.
0
SUMMARY OR ABSTRACT
Text of Note
Computational chemistry is a rapidly emerging and developing area, combining theoretical models with computers to investigate a variety of chemical phenomena Increasingly applied throughout chemistry, computational methods are becoming an integral part of modern chemical research Introduction to Computational Chemistry provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to sophisticated quantum models Although the main focus is on molecular structures and energetics, subjects such as molecular properties, dynamical aspects, relativistic methods and qualitative models are also covered.
OTHER EDITION IN ANOTHER MEDIUM
Title
Introduction to computational chemistry.
PARALLEL TITLE PROPER
Parallel Title
Computational chemistry
TOPICAL NAME USED AS SUBJECT
Chemistry, Physical and theoretical-- Data processing.
Chemistry, Physical and theoretical-- Mathematics.
35.11 quantum chemistry, chemical bonds.
Chemistry-- Data processing.
Chemistry-- Mathematics.
Chemistry, Physical and theoretical-- Data processing.
Chemistry, Physical and theoretical-- Mathematics.
Chimie-- Informatique.
Chimie physique et théorique-- Informatique.
Chimie physique et théorique-- Mathématiques.
Chimie physique et théorique-- Modèles mathématiques.
Chimie physique et théorique-- Simulation par ordinateur.
Computacao aplicada a quimica.
Computational chemistry
Computational chemistry.
Computational chemistry.
Elektronenbanen.
Elektronenstructuur.
Moleculaire dynamica.
Simulatiemodellen.
UNIVERSAL DECIMAL CLASSIFICATION (UDC)
Number
540:518.88
DEWEY DECIMAL CLASSIFICATION
Number
541/
.
0285
Edition
21
LIBRARY OF CONGRESS CLASSIFICATION
Class number
QD455
.
3
.
E4
Book number
J46
1999
OTHER CLASS NUMBERS
Class number
35
.
11
Class number
CHE
020f
Class number
CHE
150f
Class number
VC
6100
System Code
bcl
System Code
stub
System Code
stub
System Code
rvk
PERSONAL NAME - PRIMARY RESPONSIBILITY
Jensen, Frank.
ORIGINATING SOURCE
Date of Transaction
20201204060741.0
ELECTRONIC LOCATION AND ACCESS
Electronic name
مطالعه متن کتاب [Book]
Y
