Localized molecular orbitals

Results: 2



#Item
1Chemical bonding / Theoretical chemistry / Molecular physics / Ab initio quantum chemistry methods / Valence bond theory / Localized molecular orbitals / Chemical bond / Resonance / Multi-configurational self-consistent field / Chemistry / Quantum chemistry / Computational chemistry

Submitted to Journal of Chemical Theory and Computation rR Fo An Effective Hamiltonian Molecular Orbital©¤Valence Bond (MOVB)

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Source URL: www.dtc.umn.edu

Language: English - Date: 2012-08-16 12:29:07
2molecular orbital A one-electron wavefunction describing an electron moving in the effective field provided by the nuclei and all other electrons of a molecular entity

molecular orbital A one-electron wavefunction describing an electron moving in the effective field provided by the nuclei and all other electrons of a molecular entity

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Source URL: old.iupac.org

Language: English - Date: 1999-08-11 16:00:57