Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:("THEORIE HARTREE FOCK AVEC CONTRAINTE")

Document Type [dt]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Publication Year[py]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Discipline (document) [di]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Language

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Author Country

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Results 1 to 25 of 1258

  • Page / 51

Export

Selection :

  • and

HARTREE-FOCK-ROOTHAAN WAVEFUNCTIONS FOR DIATOMIC MOLECULES. III. FIRST-ROW HETERONUCLEAR SYSTEMS, AB, AB +OU- , AB*.CADE PE; HUO WM; GREENSHIELDS JB et al.1975; ATOM. DATA NUCL. DATA TABLES; U.S.A.; DA. 1975; VOL. 15; NO 1; PP. 1-39; BIBL. 6 REF.Article

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

RESTRICTED HARTREE-FOCK METHOD INSTABILITYMESTECHKIN MM.1978; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1978; VOL. 13; NO 4; PP. 469-481; ABS. FRE/GER; BIBL. 18 REF.Article

EXPONENTIAL DECAY AND REGULARITY PROPERTIES OF THE HARTREE D1HARTREL APPROXIMATION TO THE BOUND STATE WAVE FUNCTIONS OF THE HELIUM ATOM.BENCI V; FORTUNATO D; ZIRILLI F et al.1976; J. MATH. PHYS.; U.S.A.; DA. 1976; VOL. 17; NO 7; PP. 1154-1155; BIBL. 15 REF.Article

THE ELECTRONIC STRUCTURE OF THE EXCITED STATES FOR B, C+, AND C ARISING FROM THE CONFIGURATION 1S22S2PN. THE EFFECT OF REMOVAL OF THE "EQUIVALENCE" RESTRICTION.HORINO Y; TATEWAKI H.1975; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; NO 2; PP. 287-299; ABS. FR. ALLEM.; BIBL. 14 REF.Article

KONSEQUENZEN DES KOOPMANSSCHEN THEOREMS IN DEN RESTRICTED HARTREE FOCK METHODEN FUER OPEN-SHELL-SYSTEME. = CONSEQUENCES DU THEOREME DE KOOPMANS DANS LES METHODES DE HARTREE-FOCK RESTREINTES POUR DES SYSTEMES A COUCHE INCOMPLETESAUER J; JUNG C.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 40; NO 2; PP. 129-141; ABS. ANGL.; BIBL. 25 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

RESTRICTED HARTREE-FOCK APPROXIMATION. I: TECHNIQUES FOR THE ENERGY MINIMIZATIONRICO JF; GARCIA DE LA VEGA JM; FERNANDEZ ALONSO JI et al.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 1; PP. 33-40; BIBL. 18 REF.Article

THE ION O- IN THE HARTREE-FOCK APPROXIMATIONCOOK DB.1980; J. CHEM. SOC., CHEM. COMMUNIC.; GBR; DA. 1980; NO 13; PP. 623-624; BIBL. 5 REF.Article

OSCILLATOR STRENGTHS FOR TRANSITIONS INVOLVING EXCITED STATES NOT LOWEST OF THEIR SYMMETRY: NITROGEN I AND NITROGEN II TRANSITIONS.LUKEN WL; SINANOGLU O.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 8; PP. 3141-3144; BIBL. 15 REF.Article

A THEORETICAL DISCUSSION OF SOME NOVEL EXCITED STATES OF NH2 AND BF2.THOMSON C; BROTCHIE D.1974; MOLEC. PHYS.; G.B.; DA. 1974; VOL. 28; NO 1; PP. 301-303; BIBL. 4 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

MANGANESE HYDRIDE POTENTIAL ENERGY CURVES.BLINT RJ; KUNZ AB; GUSE MP et al.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 36; NO 2; PP. 191-194; BIBL. 11 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

  • Page / 51