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Results 1 to 25 of 180349

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RESOLUTION NON STABLE DE L'EQUATION DE HARTREE-FOCK DANS LE PROBLEME BIELECTRONIQUEMESTECHKIN MM; GUTYRYA LS.1982; TEOR. EKSP. HIM.; ISSN 0497-2627; UKR; DA. 1982; VOL. 18; NO 1; PP. 72-76; BIBL. 14 REF.Article

HALF-PROJECTED HARTREE-FOCK MODEL FOR COMPUTING POTENTIAL-ENERGY SURFACESSMEYERS YG; BRUCENA AM.1978; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1978; VOL. 14; NO 5; PP. 641-648; BIBL. 14 REF.Article

CORE HOLE LOCALIZATION IN N2+LOZES RL; GOSCINSKI O; WAHLGREN UI et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 63; NO 1; PP. 77-81; BIBL. 24 REF.Article

THE STRUCTURE OF THE ETHYL RADICAL.PACANSKY J; DUPUIS M.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 9; PP. 4276-4278; BIBL. 11 REF.Article

CORRELATION CORRECTIONS TO THE MOLECULAR DIPOLE MOMENT OF CLOSED SHELL MOLECULES VIA M NONOLLER-PLESSET PERTURBATION THEORYFIGEYS HP; GEERLINGS P; VAN ALSENOY C et al.1978; BULL. SOC. CHIM. BELGES; BEL; DA. 1978; VOL. 87; NO 5; PP. 349-357; BIBL. 28 REF.Article

MULTIPLET SPLITTING AND INTENSITY RATIO IN THE N(1S) PHOTOEMISSION SPECTRUM OF NO.HILLIER IH; KENDRICK J.1975; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1975; VOL. 71; NO 9; PP. 1654-1656; BIBL. 12 REF.Article

PROGRESS IN THE CALCULATION OF FREE ATOM HFS.LINDGREN I.1975; PHYS. SCRIPTA; SUEDE; DA. 1975; VOL. 11; NO 3-4; PP. 111-116; BIBL. 22 REF.Article

A COMPARISON OF DIFFERENT DODS METHODS WHEN THE NUMBER OF ELECTRONS INCREASES.MAYER I; KERTESZ M.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 6; PP. 961-966; ABS. FR. ALLEM.; BIBL. 14 REF.Article

SIMPLE DERIVATION OF CONDITIONS FOR INSTABILITY IN THE HARTREE-FOCK AND PROJECTED HARTREE-FOCK SCHEMESLOEWDIN PO; CALAIS JL; CALAZANS JM et al.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 20; NO 6; PP. 1201-1215; BIBL. 26 REF.Article

ZUR MO-LCAO-BERECHNUNG DER SPINDICHTEVERTEILUNG IM BENZYLRADIKAL. = CALCUL MO-LCAO DE LA DISTRIBUTION DE DENSITE DE SPIN DANS LE RADICAL BENZYLEGEY E; HENNIG H; STOSSER R et al.1974; Z. PHYS. CHEM., LEIPZIG; DTSCH.; DA. 1974; VOL. 255; NO 2; PP. 395-400; BIBL. 23 REF.Article

SPIN-PROJECTED EHF METHOD. IV: COMPARISON OF POTENTIAL CURVES GIVEN BY DIFFERENT ONE-ELECTRON METHODS.MAYER I.1978; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1978; VOL. 14; NO 1; PP. 29-38; BIBL. 27 REF.Article

A SIMULATION OF THE EXCHANGE POTENTIAL IN UNRESTRICTED AND RESTRICTED HARTREE-FOCK CALCULATION STUDIED ON ATOMSWIMMER E.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 51; NO 4; PP. 339-348; BIBL. 16 REF.Article

EVALUATION INDIRECTE DES EFFETS DE CORRELATION DANS LES MOLECULES A L'AIR DE L'ENERGIE DE DISPERSIONLUZANOV AV; FEDASH YU F.1977; TEOR. EKSPER. KHIM., U.S.S.R.; S.S.S.R.; DA. 1977; VOL. 13; NO 5; PP. 661-665; BIBL. 10 REF.Article

MOLECULAR POLARIZABILITY ESTIMATES FOR VIBRATIONAL SPECTRALINTERPRETATION.JAO TC; BEEBE NHF; PERSON WB et al.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 26; NO 4; PP. 474-478; BIBL. 31 REF.Article

THE CALCULATION OF SPIN-RESTRICTED SINGLE-DETERMINANT WAVEFUNCTIONS.BINKLEY JS; POPLE JA; DOBOSH PA et al.1974; MOLEC. PHYS.; G.B.; DA. 1974; VOL. 28; NO 6; PP. 1423-1429; BIBL. 13 REF.Article

SPIN DENSITY IN THE COCLH2- IONCHANDLER GS; PHILLIPS RA.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 2; PP. 363-369; BIBL. 20 REF.Article

CALCULATIONS ON THE SINGLET-TRIPLET ENERGY SEPARATIONS OF SILAETHYLENE.STRAUSZ OP; ROBB MA; THEODORAKOPOULOS G et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 48; NO 1; PP. 162-165; BIBL. 23 REF.Article

CONSTRAINTS AND THE NU 2N+1 THEOREMEPSTEIN ST.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 70; NO 2; PP. 311-312; BIBL. 1 REF.Article

SELF-CONSISTENT MOLECULAR ORBITAL METHODS. XVIII. CONSTRAINTS AND STABILITY IN HARTREE-FOCK THEORY.SEEGER R; POPLE JA.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 7; PP. 3045-3050; BIBL. 12 REF.Article

PERTURBATION THEORY APPLIED TO POTENTIAL ENERGY SURFACES. I: THE CHOICE OF A SUITABLE REFERENCE FUNCTION PSI (O)NUDEN MR; PETERSSON GA.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 11; PP. 6312-6318; BIBL. 22 REF.Article

COMMENT ON THE STRUCTURE AND STABILITY OF (CO2)2-ROSSI AR; JORDAN KD.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 9; PP. 4422-4424; BIBL. 12 REF.Article

IONIZATION POTENTIALS OF FURAN BY THE TRANSITION OPERATOR METHOD.HEHENBERGER M.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 46; NO 1; PP. 117-120; BIBL. 19 REF.Article

S42+ AND S42-: AN AB INITIO STUDYKAO J.1980; J. MOLEC. STRUCT.; NLD; DA. 1980; VOL. 63; NO 2; PP. 293-300; BIBL. 34 REF.Article

THEORETICAL STUDY OF H CHEMISORPTION ON NIO SURFACE.SURRATT GT; KUNZ AB.1978; PHYS. REV. LETTERS; U.S.A.; DA. 1978; VOL. 40; NO 5; PP. 347-350; BIBL. 7 REF.Article

HARTREE-FOCK-SLATER-LCAO CALCULATIONS ON THE CU(II) BIS(DITHIOCARBAMATE) COMPLEX; MAGNETIC COUPLING PARAMETERS AND OPTICAL SPECTRUMGEURTS PJM; BOUTEN PCP; VAN DER AVOIRD A et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 3; PP. 1306-1312; BIBL. 35 REF.Article

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