TY  - BOOK
AU  - Rogers,Donald
TI  - Computational chemistry using the PC
SN  - 0471474916
AV  - QD39.3.E46 R64 2003eb
U1  - 541.2/2/02855365 22
PY  - 2003///
CY  - Hoboken, N.J.
PB  - Wiley-Interscience
KW  - Chemistry
KW  - Data processing
KW  - Mathematics
KW  - Computational chemistry molecular modeling
KW  - Computing special topics
KW  - Electronic books
N1  - Includes bibliographical references (pages 333-338) and index; Computational Chemistry Using the PC Third Edition; Contents; Preface to the Third Edition; Preface to the Second Edition; Preface to the First Edition; Chapter 1. Iterative Methods; Chapter 2. Applications of Matrix Algebra; Chapter 3. Curve Fitting; Chapter 4. Molecular Mechanics: Basic Theory; Chapter 5. Molecular Mechanics II: Applications; Chapter 6. Huckel Molecular Orbital Theory I: Eigenvalues; Chapter 7. Huckel Molecular Orbital Theory II: Eigenvectors; Chapter 8. Self-Consistent Fields; Chapter 9. Semiempirical Calculations on Larger Molecules
N2  - This work focuses on the theory and applications of molecular modelling. A mathematical introduction, practice problems in every chapter, laboratory exercises and small research projects provide the student with the tools needed to succeed in computational chemistry
UR  - https://eresourcesptsl.ukm.remotexs.co/user/login?url=http://onlinelibrary.wiley.com/book/10.1002/0471474908
ER  -