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Interpretation and calculation of the parameters of the model of angular overlap of orbitals based on the local method of effective crystal field
Authors: Darkhovskii, MB Chugreev, AL
Citation: Mb. Darkhovskii et Al. Chugreev, Interpretation and calculation of the parameters of the model of angular overlap of orbitals based on the local method of effective crystal field, RUSS J PH C, 74(2), 2000, pp. 296-303
On combining quantum chemistry and molecular mechanics. The potential energy surface of complexes of transition metals exemplified by spin transitionin cis-[Fe(bipy)(2)(CNS)(2)]
Authors: Darkhovskii, MB Tchougreeff, AL
Citation: Mb. Darkhovskii et Al. Tchougreeff, On combining quantum chemistry and molecular mechanics. The potential energy surface of complexes of transition metals exemplified by spin transitionin cis-[Fe(bipy)(2)(CNS)(2)], CHEM PHYS R, 18(1), 1999, pp. 149-161
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