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Ray, N.K., Narasimhan, P.T. (1967) Study of spin density distributions in the radical ions of two non-alternant hydrocarbons by unrestricted Hartree-Fock method: Effect of introducing the variation of β and the inclusion of non-neighbour resonance integrals on the spin density values. Molecular Physics, 13. 449-455 doi:10.1080/00268976700101331

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Reference TypeJournal (article/letter/editorial)
TitleStudy of spin density distributions in the radical ions of two non-alternant hydrocarbons by unrestricted Hartree-Fock method: Effect of introducing the variation of β and the inclusion of non-neighbour resonance integrals on the spin density values
JournalMolecular Physics
AuthorsRay, N.K.Author
Narasimhan, P.T.Author
Year1967 (January)Volume13
PublisherInforma UK Limited
DOIdoi:10.1080/00268976700101331Search in ResearchGate
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Mindat Ref. ID5966474Long-form Identifiermindat:1:5:5966474:9
GUID0
Full ReferenceRay, N.K., Narasimhan, P.T. (1967) Study of spin density distributions in the radical ions of two non-alternant hydrocarbons by unrestricted Hartree-Fock method: Effect of introducing the variation of β and the inclusion of non-neighbour resonance integrals on the spin density values. Molecular Physics, 13. 449-455 doi:10.1080/00268976700101331
Plain TextRay, N.K., Narasimhan, P.T. (1967) Study of spin density distributions in the radical ions of two non-alternant hydrocarbons by unrestricted Hartree-Fock method: Effect of introducing the variation of β and the inclusion of non-neighbour resonance integrals on the spin density values. Molecular Physics, 13. 449-455 doi:10.1080/00268976700101331
In(n.d.) Molecular Physics Vol. 13. Informa UK Limited

See Also

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Ray, N.K., Narasimhan, P.T. (1968) Unrestricted Hartree-Fock calculations of spin density distributions in some alkyl radicals. Chemical Physics Letters, 2. 59-60 doi:10.1016/0009-2614(68)80149-6
Ray, N.K., Narasimhan, P.T. (1968) Unrestricted Hartree-Fock calculations of spin density distributions in some alkyl radicals using the hetero-atom model for the methyl group. Chemical Physics Letters, 2. 101-104 doi:10.1016/0009-2614(68)80060-0
Nanda, D.N., Narasimhan, P.T. (1972) Unrestricted Hartree-Fock spin density calculations on sulphur-containing radicals: Role ofd-orbitals in the π-electron treatment. Molecular Physics, 24. 1341-1352 doi:10.1080/00268977200102411
Ray, N.K., Gupta, R.K., Narasimhan, P.T. (1966) The electron spin resonance spectrum of the dicyclopropyl ketone radical anion. Molecular Physics, 10. 601-602 doi:10.1080/00268976600101561
Gupta, R.K., Subramanian, J., Ray, N.K., Narasimhan, P.T. (1968) Study of lithium cation perturbation on the spin density distribution in sym-trinitrobenzene radical anion. Chemical Physics Letters, 2. 150-154 doi:10.1016/0009-2614(68)85028-6
Glaser, Rainer, Choy, Godwin Sik Cheung (1993) Electron and spin density analysis of spin-projected unrestricted Hartree-Fock density matrixes of radicals. The Journal of Physical Chemistry, 97 (13). 3188-3198 doi:10.1021/j100115a022
NANDA, D. N., NARASIMHAN, P. T. (1974) ChemInform Abstract: UNRESTRICTED HARTREE-FOCK SPIN DENSITY CALCULATIONS WITH ORTHOGONALIZED ATOMIC ORBITALS ON AZA AND NITROAROMATIC RADICAL ANIONS. Chemischer Informationsdienst, 5 (17) doi:10.1002/chin.197417089
Brown, RD, Burden, FR, Williams, GR (1968) Ultraviolet spectra of non-alternant hydrocarbons: The significance of non-neighbour resonance integrals and of configuration-interaction. Australian Journal of Chemistry, 21 (8). 1939pp. doi:10.1071/ch9681939
Ray, N.K. (1968) Unrestricted Hartree-Fock calculation of spin densities in some xanthyl radicals. Chemical Physics Letters, 2. 634-636 doi:10.1016/0009-2614(63)80037-8
Chandra, P., Narasimhan, P.T. (1967) Valence bond variational calculations of the proton spin-spin couplings in ethylene. Molecular Physics, 12. 523-527 doi:10.1080/00268976700100691
Kobayashi, Katsushi (1997) The unrestricted Hartree-Fock self consistent field calculation for spin density wave state in metallic carbon nanotube. The Journal of Chemical Physics, 106 (21). 8746-8752 doi:10.1063/1.473934
 
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