Molecular Orbitals and the Wave Equation

Author:

Xu Cai Xia1,Huang Zhi Ping1,Fan Qi Ping1,Zhang Wen Yu2,Wu Hong Yi1,Zhou Lei1

Affiliation:

1. Institute of Chemical Defence

2. Standardization Research Institute of China North Industries Group Corporation

Abstract

A molecular orbital is the wave function for the electron, and it extends over the entire molecule. When considering the possible reactions of a molecule, molecular orbitals are required to be known. This paper gives insight into the nature of molecular orbitals and nodal plane, also explain why certain atomic orbitals “missing” in molecular orbitals.

Publisher

Trans Tech Publications, Ltd.

Subject

General Engineering

Reference10 articles.

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2. R.S. Mulliken: Phys. Rev Vol. 32 (1928), p.186.

3. J. Cioslowaski and A. Liashenko: J. Chem. Phys Vol. 108(1998), p.4405.

4. M. J. Winter: Chemical bonding (Oxford University Press, Oxford 1994).

5. I. N. Levine: Quantum chemistry (Prentice Hall, New Jersey 2000).

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