2013Advanced materials researchOpen access

Molecular Orbitals and the Wave Equation

Cai Xu, Zhi Huang, Qi Ping Fan, Wen Yu Zhang, Hong Yi Wu, Lei Zhou

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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.

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What this paper is about

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.

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Available 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.

Key concepts: Molecular orbital, Slater-type orbital, Molecular orbital theory, Localized molecular orbitals, Linear combination of atomic orbitals, Cubic harmonic, Natural bond orbital, Molecular orbital diagram

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