TY  - BOOK
AU  - McDocuall, Joseph J. W
TI  - Computational quantum chemistry : molecular structure and properties in silico
SN  - 9781849736084
U1  - 541.280285 
PY  - 2013///
CY  - UK
PB  - RSC
KW  - Quantum chemistry--Data processing	
KW  - Molecular structure--Computer simulation	
KW  - Chromatographic analysis	
N1  - 1 Computational Quantum Chemistry;

2 Computational Electronic Structure Theory: 

3 The Computation of Molecular Properties:

4 Understanding Molecular Wavefunctions, 

5 Orbitals and Densities:

6 Relativistic Effects and Electronic Structure Theory: 

7 Subject Index

ER  -