عنوان
پدید آورنده
موضوع
رده
QD455.3.E4 J46 1999
QD455
.
3
.
E4
J46
1999
کتابخانه
محل استقرار
0471980854
0471984256
9780471980858
9780471984252
b745894
Introduction to computational chemistry /
[Book]
Frank Jensen.
New York :
Wiley,
©1999.
xvi, 429 pages :
illustrations ;
26 cm
Includes bibliographical references and index.
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
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.
Introduction to computational chemistry.
Computational chemistry
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.
540:518.88
541/
.
0285
21
QD455
.
3
.
E4
J46
1999
35
.
11
CHE
020f
CHE
150f
VC
6100
bcl
stub
stub
rvk
Jensen, Frank.
20201204060741.0
مطالعه متن کتاب [Book]
Y
