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Integral invariants for high-symmetry open-shell molecules.

✍ Scribed by B. N. Plakhutin

Publisher: SP MAIK Nauka/Interperiodica
Year: 1998
Tongue: English
Weight: 757 KB
Volume: 39
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf02873818

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📜 SIMILAR VOLUMES

Integral invariants for high-symmetry op

Integral invariants for high-symmetry open-shell molecules

✍ B. N. Plakhutin 📂 Article 📅 1998 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 621 KB

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The self-consistency approach for the calculation of open-shell states of high-symmetry molecules within the symmetryrestricted Hartree-Fock method is presented. The approach is applicable for terms of any type and allows the use of an arbitrary set of energy-integral coupling coefficients satisfyin

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Open-shell calculation on molecules with icosahedral symmetry

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Inter-electron repulsion integrals for t

Inter-electron repulsion integrals for three-open-shell configurations in cubic symmetry

✍ B. Bird; C. Daul; P. Day 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 786 KB

Molecules ofhigh symmetry containing incompletely filled University of Belfast, N. Ireland (see application form in electronic shells, such as transition metal complexes, have this issue) excited states whose energies are determined by differences in one-electron orbital energies and changes in elec

Green's functions for open-shell atoms a

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Rates for the reactions of open-shell io

Rates for the reactions of open-shell ions with molecules

✍ D.C. Clary; C.E. Dateo; D. Smith 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 550 KB

Experimental rate coefficients for 34 exothermic reactions of C+ and N+ ions with molecules all take values between k, and&. Here, k, is a rate coefficient obtained from capture theory with a classical electrostatic potential andyis the fraction of potential energy surfaces that are attractive in th