Computational quantum chemistry : molecular structure and properties in silico/

McDocuall, Joseph J. W

Computational quantum chemistry : molecular structure and properties in silico/ - UK: RSC, 2013. - xiii, 278p. 24 cm.

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;


9781849736084


Quantum chemistry--Data processing
Molecular structure--Computer simulation
Chromatographic analysis

541.280285 / MCD/C
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