Untersuchungen zur Anwendbarkeit des CNDO/S-CI-Verfahrens für die Berechnung der Anregungsenergien organischer Verbindungen am Beispiel von Phthalsäurederivaten / Investigations on the Applicability of the CNDO/S-CI method for the Calculation of Excitation energies of Organic compounds using Derivatives of Phthalic acid as Examples
1980 ◽
Vol 35
(8)
◽
pp. 865-868
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Keyword(s):
AbstractThe influence of the choice of geometrical parameters and the approximations used to evaluate the two centre coulombic integrals upon excitation energies as calculated by the CNDO/S-or INDO/S-CI method is discussed.
1987 ◽
Vol 56
(9)
◽
pp. 826-845
◽
1928 ◽
Vol 50
(6)
◽
pp. 1804-1808
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Studies in Silico-Organic Compounds. XXIII. Acyloxy Derivatives of the β-Chloroethyltrialkoxysilanes
1952 ◽
Vol 17
(10)
◽
pp. 1386-1388
◽
1926 ◽
Vol 48
(1)
◽
pp. 223-231
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1922 ◽
Vol 121
(0)
◽
pp. 2169-2178
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