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3 results for Hartree-Fock.

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Modeling of Ionization Energy of Elements Using Hartree-FockMethod: An Introduction to Computational Quantum Chemistry for Undergraduate Students
by Krishnamohan G P, Thomas Mathew, Simi Saju and James T. Joseph
World Journal of Chemical Education. 2017, 5(3), 112-119. DOI: 10.12691/wjce-5-3-6
Pub. Date: May 26, 2017Views: 24133Downloads: 26762
periodic properties computational chemistry Hartree-Fock ionization energy atomic structure
Abstract Full Text PDF (308 KB) Full Text HTML Full Text ePUB (570 KB)
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Predictive Modeling of the Anti-Paludial Activity of a Series of Dihydrothiophenone Molecules at the Hartree-Fock (HF) / 6-31G (d, p) Level
by Fandia Konate, Fatogoma Diarrrassouba, Georges Stéphane Dembele, Mamadou Guy-Richard Koné, Bibata Konaté, Nanou Tiéba Tuo and Nahossé Ziao
Journal of Materials Physics and Chemistry. 2021, 9(2), 56-62. DOI: 10.12691/jmpc-9-2-3
Pub. Date: September 28, 2021Views: 6341Downloads: 8295
antimalarial activity quantum chemistry Dihydrothiophenone QSAR MLR
Abstract Full Text PDF (251 KB) Full Text HTML Full Text ePUB (411 KB)
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A Theoretical Study of the Atomic Properties for Subshells of N+ and O+2 Using Hartree-Fock Approximation
by Hayder Ali Abd Alabas, Qassim Shamkhi AL-Khafaji and Abbas Hassan Raheem
International Journal of Physics. 2016, 4(4), 74-77. DOI: 10.12691/ijp-4-4-1
Pub. Date: May 20, 2016Views: 18326Downloads: 17438
Hamiltonian operator wave function Approximation methods multi-electron systems and Hund's rules
Abstract Full Text PDF (284 KB) Full Text HTML Full Text ePUB (627 KB)
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