Applications of Natural Bond Orbital (NBO) Analysis: Transition-metal hexacarbonyl and mono-substituted pentacarbonyl complexes
博士 === 國立成功大學 === 化學系碩博士班 === 96 === This article includes four units and the first unit contains Ab Initio Molecular Orbital (MO) theory. Here it introduces the Hamiltonian and wavefunctions of the Schrödinger equation, and molecular orbitals obtained from the Schrödinger equation. The related soft...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2007
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| Online Access: | http://ndltd.ncl.edu.tw/handle/97658299658745029363 |