共 50 条
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- [3] Anharmonic vibrational analysis of uracil by ab initio Hartree-Fock and density functional theory calculationsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 895 (1-3): : 18 - 20Rasheed, TabishAhmad, ShabbirAfzal, S. M.Rahimullah, K.
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- [7] Infrared spectra of thiouracils: Experimental matrix isolation and ab initio Hartree-Fock, post-Hartree-Fock and density functional theory studiesVIBRATIONAL SPECTROSCOPY, 1996, 13 (01) : 23 - 40Lapinski, LRostkowska, HNowak, MJKwiatkowski, JSLeszczynski, J
- [8] Ab initio Hartree-Fock study of Bronsted acidity at the surface of oxidesJOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (08): : 1347 - 1354Nortier, PBorosy, APAllavena, M
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- [10] An ab initio Hartree-Fock study of the magnetic states of the polymorphs of MnSJOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (34) : 7105 - 7118Hines, RIAllan, NLBell, GSMackrodt, WC