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Tomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu (1993) Missing-orbital analysis of molecular hyperpolarizability β calculated by a simplified sum-over-states method. Enhancement of the off-diagonal component βzxx. Chemical Physics Letters, 215. 45-52 doi:10.1016/0009-2614(93)89261-f

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Reference TypeJournal (article/letter/editorial)
TitleMissing-orbital analysis of molecular hyperpolarizability β calculated by a simplified sum-over-states method. Enhancement of the off-diagonal component βzxx
JournalChemical Physics Letters
AuthorsTomonari, MutsumiAuthor
Ookubo, NorioAuthor
Takada, ToshikazuAuthor
Year1993 (November)Volume215
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(93)89261-fSearch in ResearchGate
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Mindat Ref. ID5890264Long-form Identifiermindat:1:5:5890264:2
GUID0
Full ReferenceTomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu (1993) Missing-orbital analysis of molecular hyperpolarizability β calculated by a simplified sum-over-states method. Enhancement of the off-diagonal component βzxx. Chemical Physics Letters, 215. 45-52 doi:10.1016/0009-2614(93)89261-f
Plain TextTomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu (1993) Missing-orbital analysis of molecular hyperpolarizability β calculated by a simplified sum-over-states method. Enhancement of the off-diagonal component βzxx. Chemical Physics Letters, 215. 45-52 doi:10.1016/0009-2614(93)89261-f
In(n.d.) Chemical Physics Letters Vol. 215. Elsevier BV

See Also

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Tomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu (1995) Missing-orbital analysis on hyperpolarizability β of organic molecules. Enhancement of the off-diagonal component βzxx using multiple substitutions. Chemical Physics Letters, 236. 475-484 doi:10.1016/0009-2614(95)00226-t
Tomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu (1994) Missing-orbital analysis of molecular hyperpolarizability β calculated by a simplified sum-over-states method: “multi-state” model for βzxx. Journal of Molecular Structure, 311. 221-232 doi:10.1016/s0022-2860(10)80032-8
Tomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu (1994) Missing-orbital analysis of molecular hyperpolarizability β calculated by a simplified sum-over-states method: “multi-state” model for βzxx. Journal of Molecular Structure: THEOCHEM, 311. 221-232 doi:10.1016/s0166-1280(09)80060-2
Tomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu (1997) Molecular hyperpolarizability components βzzz and βzxx under directional extensions of π conjugation: missing-orbital analysis and simplified sum-over-states calculations. Chemical Physics Letters, 266. 488-498 doi:10.1016/s0009-2614(97)00054-7
Tomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu, Feyereisen, Martin W., Almlöf, Jan (1993) Simplified sum-over-states calculations and missing-orbital analysis on hyperpolarizabilities of benzene derivatives. Chemical Physics Letters, 203. 603-610 doi:10.1016/0009-2614(93)85318-i
Tomonari, Mutsumi, Ookubo, Norio (1998) Anisotropy in molecular linear polarizability α and hyperpolarizability β: missing-orbital analysis and simplified sum-over-states calculations. Journal of Molecular Structure: THEOCHEM, 451. 179-188 doi:10.1016/s0166-1280(98)00170-5
Tomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu (1996) Multi-directional charge transfers introduced by multiple substitutions and their effects on molecular hyperpolarizability: an ab initio theoretical study. Synthetic Metals, 81 (2). 137-142 doi:10.1016/s0379-6779(96)03731-9
Tomonari, Mutsumi, Ookubo, Norio, Takada, Toshikazu, Hirayama, Hiroyuki (1997) Hyperpolarizabilities of Si clusters: model calculations to interpret second-harmonic generation from SiO2/Si(111) interface. Chemical Physics Letters, 272. 199-208 doi:10.1016/s0009-2614(97)88010-4
Tomonari, Mutsumi, Ookubo, Norio (2002) Hyperpolarizabilities βzzz and βzxx of π-extended molecules tetra-substituted by ortho-positioned donor–acceptor pairs as analyzed by homologous substitution model. Chemical Physics Letters, 351. 431-440 doi:10.1016/s0009-2614(01)01384-7
Tomonari, Mutsumi, Ookubo, Norio (2003) A large βzzz of π-extended molecules tetra-substituted by meta-positioned donor–acceptor pairs. Chemical Physics Letters, 376. 504-514 doi:10.1016/s0009-2614(03)00881-9
Mukoyama, Takeshi, Adachi, Hirohiko (1993) Electronic structures of d0 complexes by the DV-Xα method. Chemical Physics Letters, 215. 93-96 doi:10.1016/0009-2614(93)89268-m
 
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