共 50 条
- [21] FROM UNCOUPLED TO COUPLED HARTREE-FOCK POLARIZABILITIES OF INFINITE POLYMERIC CHAINS - PARISER-PARR-POPLE APPLICATIONS TO THE POLYACETYLENE CHAINSJOURNAL OF CHEMICAL PHYSICS, 1992, 96 (11): : 8330 - 8337CHAMPAGNE, BFRIPIAT, JGANDRE, JM
- [22] 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
- [23] Ab initio Hartree-Fock study of electron transfer in organic moleculesJOURNAL OF CHEMICAL PHYSICS, 2001, 115 (04): : 1703 - 1715Pati, RKarna, SP
- [24] ELASTIC PROPERTIES IN BEO - AN AB-INITIO HARTREE-FOCK CALCULATIONCHEMICAL PHYSICS LETTERS, 1993, 211 (2-3) : 249 - 254LICHANOT, ARERAT, M
- [25] 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
- [26] Implementation Of A Vector Potential Method In An Ab Initio Hartree-Fock CodeINTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009), 2012, 1504 : 627 - 630Tevekeliyska, ViolinaSpringborg, MichaelChampagne, BenoitKirtman, Bernard
- [27] An ab initio Hartree-Fock study of alpha-MoO3JOURNAL OF MATERIALS CHEMISTRY, 1997, 7 (06) : 959 - 967Cora, FPatel, AHarrison, NMRoetti, CCatlow, CRA
- [28] Ab initio Hartree-Fock simulation of r-plane sapphire18TH INTERNATIONAL VACUUM CONGRESS (IVC-18), 2012, 32 : 635 - 639Stirner, ThomasSun, JizhongAust, Martin
- [29] Ab initio Hartree-Fock investigation of π-conjugated compounds presenting large βv/βe ratio:: merocyaninesCOLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1998, 63 (09) : 1295 - 1308Champagne, BLegrand, TPerpete, EAQuinet, OAndre, JM
- [30] Linear and non-linear optical properties of some donor–acceptor oxadiazoles by ab initio Hartree-Fock calculationsStructural Chemistry, 2008, 19 : 239 - 246Yusuf AtalayDavut AvcıAdil Başoğlu
