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Náray-Szabó, Gábor, R. Surján, Péter (1983) Bond orbital framework for rapid calculation of environmental effects on molecular potential surfaces. Chemical Physics Letters, 96. 499-501 doi:10.1016/0009-2614(83)80739-8

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Reference TypeJournal (article/letter/editorial)
TitleBond orbital framework for rapid calculation of environmental effects on molecular potential surfaces
JournalChemical Physics Letters
AuthorsNáray-Szabó, GáborAuthor
R. Surján, PéterAuthor
Year1983 (April)Volume96
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(83)80739-8Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5874630Long-form Identifiermindat:1:5:5874630:1
GUID0
Full ReferenceNáray-Szabó, Gábor, R. Surján, Péter (1983) Bond orbital framework for rapid calculation of environmental effects on molecular potential surfaces. Chemical Physics Letters, 96. 499-501 doi:10.1016/0009-2614(83)80739-8
Plain TextNáray-Szabó, Gábor, R. Surján, Péter (1983) Bond orbital framework for rapid calculation of environmental effects on molecular potential surfaces. Chemical Physics Letters, 96. 499-501 doi:10.1016/0009-2614(83)80739-8
In(n.d.) Chemical Physics Letters Vol. 96. Elsevier BV

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Surján, Péter R. (1982) Bond—bond pair potentials describing barrier to rotations around single bonds. Chemical Physics Letters, 92. 483-485 doi:10.1016/0009-2614(82)87045-0
Kugler, Sándor, Surján, Péter R., Náray-Szabó, Gábor (1988) Theoretical estimation of static charge fluctuation in amorphous silicon. Physical Review B, 37 (15) 9069-9071 doi:10.1103/physrevb.37.9069
R. Surján, Péter (1985) The use of the mulliken approximation in bond-bond pair potentials describing rotational barriers. Chemical Physics Letters, 117. 386-388 doi:10.1016/0009-2614(85)85250-7
Ferenczy, György G., Rivail, Jean-Louis, Surján, Péter R., Náray-Szabó, Gábor (1992) NDDO fragment self-consistent field approximation for large electronic systems. Journal of Computational Chemistry, 13 (7). 830-837 doi:10.1002/jcc.540130706
Hirst, D (1983) Ab initio potential energy surfaces for BH+2. Chemical Physics Letters, 94. 591-595 doi:10.1016/0009-2614(83)80790-8
(1983) Erratum. Chemical Physics Letters, 96. 132pp. doi:10.1016/0009-2614(83)80132-8
Bounds, D.G. (1983) On the MCY potential for liquid water. Chemical Physics Letters, 96. 604-606 doi:10.1016/0009-2614(83)80457-6
Reisfeld, Renata (1983) Energy transfer between dyes on glass surfaces and ions in glasses. Chemical Physics Letters, 95. 95-96 doi:10.1016/0009-2614(83)85073-8
True, Nancy S. (1983) Effects of rapid intramolecular vibrational redistribution on molecular spectra at microwave frequencies. Chemical Physics Letters, 101. 326-330 doi:10.1016/0009-2614(83)87023-7
Suhai, Sándor (1983) Bond alternation in infinite polyene: Peierls distortion reduced by electron correlation. Chemical Physics Letters, 96. 619-625 doi:10.1016/0009-2614(83)80060-8
Ángyán, János G., Rosta, Edina, Surján, Péter R. (1999) Covalent bond orders and atomic valences from correlated wavefunctions. Chemical Physics Letters, 299. 1-8 doi:10.1016/s0009-2614(98)01255-x
 
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