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Tylicki, J., Hood, R. J., Gallup, G. A., Eckhardt, C. J. (1977) Theory and applications of an atoms in molecules approach to the Xα‐SCF method. The Journal of Chemical Physics, 66 (8) 3745-3749 doi:10.1063/1.434414

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Reference TypeJournal (article/letter/editorial)
TitleTheory and applications of an atoms in molecules approach to the Xα‐SCF method
JournalThe Journal of Chemical Physics
AuthorsTylicki, J.Author
Hood, R. J.Author
Gallup, G. A.Author
Eckhardt, C. J.Author
Year1977 (April 15)Volume66
Issue8
PublisherAIP Publishing
DOIdoi:10.1063/1.434414Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2110400Long-form Identifiermindat:1:5:2110400:4
GUID0
Full ReferenceTylicki, J., Hood, R. J., Gallup, G. A., Eckhardt, C. J. (1977) Theory and applications of an atoms in molecules approach to the Xα‐SCF method. The Journal of Chemical Physics, 66 (8) 3745-3749 doi:10.1063/1.434414
Plain TextTylicki, J., Hood, R. J., Gallup, G. A., Eckhardt, C. J. (1977) Theory and applications of an atoms in molecules approach to the Xα‐SCF method. The Journal of Chemical Physics, 66 (8) 3745-3749 doi:10.1063/1.434414
In(1977, April) The Journal of Chemical Physics Vol. 66 (8) AIP Publishing

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Eckhardt, C. J., Müller, H., Tylicki, J., Chance, R. R. (1976) Piezomodulated and specular reflection spectra of a polydiacetylene crystal. The Journal of Chemical Physics, 65 (10) 4311-4312 doi:10.1063/1.432839
Tossell, J. A. (1977) SCF–Xα scattered wave MO studies of the electronic structure of ferrous iron in octahedral coordination with sulfur. The Journal of Chemical Physics, 66 (12) 5712-5719 doi:10.1063/1.433845
Ruedenberg, Klaus (1977) An approximate relation between orbital SCF energies and total SCF energy in molecules. The Journal of Chemical Physics, 66 (1) 375-376 doi:10.1063/1.433646
Gallup, G. A. (1977) Electron tunneling, charge transfer, and the intermolecular forces between two H2 molecules. The Journal of Chemical Physics, 66 (6) 2252-2256 doi:10.1063/1.434285
Chance, R. R., Baughman, R. H., Müller, H., Eckhardt, C. J. (1977) Thermochromism in a polydiacetylene crystal. The Journal of Chemical Physics, 67 (8) 3616-3618 doi:10.1063/1.435361
Eckhardt, C.J., Hood, R.J., Merski, J., Tylicki, J. (1976) Piezoluminescence of anthracene single crystals. Journal of Luminescence, 12. 805-809 doi:10.1016/0022-2313(76)90181-2
McCoy, B. J., Carbonell, R. G. (1977) Master equation theory for steady‐state chemical reactions: Dissociation of diatomic molecules in gases. The Journal of Chemical Physics, 66 (10) 4564-4571 doi:10.1063/1.433712
Koller, J., Žaucer, ,M., Ažman, A. (1976) LCAO Approach to SCF-Xα Method. Zeitschrift für Naturforschung A, 31 (8). 1022-1023 doi:10.1515/zna-1976-0828
Gallup, G. A., Gerratt, J. (1985) A variation‐perturbation method for atomic and molecular interactions. I. Theory. The Journal of Chemical Physics, 83 (5). 2316-2322 doi:10.1063/1.449851
Jameson, Cynthia J. (1977) Variation of chemical shielding with internal coordinates. Applications to diatomic molecules. The Journal of Chemical Physics, 66 (11) 4977-4982 doi:10.1063/1.433799
Danese, J. B., Connolly, J. W. D. (1974) Calculation of the total energy in the multiple scattering‐Xα method. I. General theory. The Journal of Chemical Physics, 61 (8) 3063-3070 doi:10.1063/1.1682462
 
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