Chapter 13. Other Chemical Properties
Published Online: 25 APR 2002
DOI: 10.1002/0471220655.ch13
Copyright © 2001 John Wiley & Sons, Inc.
Book Title
Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems
Additional Information
How to Cite
Young, D. C. (2002) Other Chemical Properties, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch13
Publication History
- Published Online: 25 APR 2002
- Published Print: 21 FEB 2001
ISBN Information
Print ISBN: 9780471333685
Online ISBN: 9780471220657
- Summary
- Chapter
Keywords:
- multipole moments;
- Fermi contact density;
- electronic spatial extent;
- molecular volume;
- electron affinity;
- ionization potential;
- hyperfine coupling;
- dielectric constants;
- optical activity;
- biological activity;
- boiling point;
- melting point;
- surface tension;
- vapor pressure;
- solubility;
- diffusivity;
- energy;
- geometry;
- wave function;
- electron density;
- QSAR;
- QSPR;
- database;
- artificial intelligence;
- AI;
- dipole moment;
- quadrupole moment;
- octupole moment;
- hexadecapole moment;
- solvent-excluded volume;
- convex hull;
- EA;
- IP;
- Koopman's theorem;
- ORD;
- CD;
- VCD;
- GIAO
Summary
Chapter thirteen contains many short sections on chemical properties not mentioned elsewhere in the text. There is a discussion of the relative merits of various methods for computing properties. There is also a section on visualization techniques.