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IONIZATION ENERGIES OF OPEN-SHELL MOLECULES IN THE FROZEN ORBITAL APPROXIMATION.COX PA.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 30; NO 2; PP. 389-403; BIBL. 27 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

CONFIGURATION INTERACTION CALCULATIONS OF THE SATELLITE PEAKS OBSERVED IN THE CORE AND VALENCE PHOTOELECTRON SPECTRA OF N2.HILLIER IH; HENDRICK J.1976; J. ELECTRON SPECTROSC. RELAT. PHENOMENA; NETHERL.; DA. 1976; VOL. 8; NO 3; PP. 239-243; BIBL. 6 REF.Article

SELF-CONSISTENT-FIELD WAVE FUNCTIONS USING A SYMMETRY-RESTRICTED ANNIHILATION OF SINGLE-EXCITATIONS PROCEDURE.YARKONY DR; SCHAEFER HF III; BENDER CF et al.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 3; PP. 981-986; BIBL. 16 REF.Article

POLARIZATION EFFECTS ON DISCRETE TRANSITIONS IN LIGHT ALKALI ATOMS CALCULATED IN THE LINKED DIAGRAM FORMALISM.GARPMAN S.1975; PHYS. SCRIPTA; SUEDE; DA. 1975; VOL. 12; NO 5; PP. 295-304; BIBL. 38 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

THEORETICAL STUDY, INCLUDING CORRELATION EFFECTS, OF THE LOW-ENERGY PHOTOELECTRON SPECTRUM OF OZONE.HILLER IH; KENDRICK J.1975; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1975; VOL. 71; NO 11; PP. 1906-1908; BIBL. 7 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

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

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

COMPARISON OF RHF, NDDO, AND MOM MOLECULAR ONE-ELECTRON EXPECTATION VALUES CALCULATED USING WEIGHTED AND UNWEIGHTED STO-NG(W) BASIS FUNCTIONSZEISS GD; WHITEHEAD MA.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 1; PP. 48-52; BIBL. 41 REF.Article

ON THE ELECTRONIC EXCITED STATES OF MODEL CHLOROPHYLLEDWARDS WD; HEAD JD; ZERNER MC et al.1982; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 21; PP. 5833-5834; BIBL. 10 REF.Article

HARTREE-FOCK CALCULATIONS FOR EXCITED RYDBERG STATESJUNGEN M.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 60; NO 4; PP. 369-377; BIBL. 30 REF.Article

AB INITIO CALCULATIONS OF A' AND A'' STATES OF NITROSYL CYANIDEBELL S.1981; FARADAY TRANS. 2; ISSN 0300-9238; GBR; DA. 1981; VOL. 77; NO 2; PP. 321-328; BIBL. 13 REF.Article

MOLECULAR STRUCTURE OF THE BORON(III) OXIDE MOLECULE IN THE SCF APPROXIMATIONDEMENT'EV AJ; RAMBIDI NG; SIMKIN VY et al.1980; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1980; VOL. 68; PP. 199-202; BIBL. 14 REF.Article

SEMI-INTERNAL CORRELATION IN THE AUGER ELECTRON SPECTRUM OF H2OAGREN H; SIEGBAHN H.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 69; NO 3; PP. 424-429; BIBL. 27 REF.Article

THE KRAMERS RESTRICTED HARTREE-FOCK APPROACHHAFNER P.1980; J. PHYS. D; ISSN 0022-3700; GBR; DA. 1980; VOL. 13; NO 17; PP. 3297-3308; BIBL. 15 REF.Article

APPLICABILITY OF SELF-CONSISTENT FIELD TECHNIQUES BASED ON THE COMPLEX COORDINATE METHOD TO METASTABLE ELECTRONIC STATESMCCURDY CW; RESCIGNO TN; DAVIDSON TN et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 7; PP. 3268-3273; BIBL. 18 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

THEORETICAL STUDY OF THE ETHANE IONIZATION SPECTRA WITHIN THE CORRELATION HOLE MODELMOSCARDO F; PANIAGUA M; SAN FABIAN E et al.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 54; NO 1; PP. 53-58; BIBL. 17 REF.Article

VIRTUAL ORBITALS FOR OBTAINING RAPID CONVERGENCE IN CONFIGURATION INTEREACTION CALCULATIONSLUKEN WL.1979; CHEM. PHYS.; NLD; DA. 1979; VOL. 40; NO 3; PP. 301-309; BIBL. 26 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

ERRORS IN MOLECULAR INTEGRALS: AN INFLUENCE ON RHF ENERGY VALUES.STEPANOV NF; PUPYSHEV VI.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 11; NO 1; PP. 1-15; ABS. FR. ALLEM.; BIBL. 5 REF.Article

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