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kw.\*:("METHODE ROOTHAAN")

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FORMULAS FOR CONSTRUCTING BASIS SETS IN MOLECULAR CALCULATIONS FROM A GIVEN SET OF ATOMIC ORBITALS.TAKETA H.1974; MEM. FAC. SCI., KYUSHU UNIV., B; JAP.; DA. 1974; VOL. 5; NO 1; PP. 1-6; BIBL. 1 REF.Article

EQUIVALENCE-RESTRICTED OPEN-SHELL SCF-THEORY.JACKELS CF; DAVIDSON ER.1974; INTERNATION. J. QUANTUM. CHEM.; U.S.A.; DA. 1974; VOL. 8; NO 5; PP. 707-714; ABS. FR. ALLEM.; BIBL. 4 REF.Article

POSSIBILITE D'AUGMENTER LA PRECISION DES CALCULS DES CTES DE FORCE DES MOLECULES DANS L'APPROXIMATION DE HARTREE-FOCK-ROOTHAANROSSIKHIN VV; BOLOTIN AB; ZASLAVSKAYA LI et al.1972; LITOV. FIZ. SBOR.; S.S.S.R.; DA. 1972; VOL. 12; NO 5; PP. 753-760; ABS. LITU. ANGL.; BIBL. 7 REF.Serial Issue

PRINCIPE ADIABATIQUE POUR LE PROBLEME SECULAIRE DE ROOTHAANGRIBOV LA; NICHKKANEN AV.1974; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1974; VOL. 15; NO 3; PP. 529-534; BIBL. 8 REF.Article

CALCUL PAR ORBITALES MOLECULAIRES SUR LE DICYCLOPENTADIENYLBERYLLIUMLOPATKO O YA; KLIMENKO NM; DYATKINA ME et al.1972; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1972; VOL. 13; NO 6; PP. 1128-1133; BIBL. 10 REF.Serial Issue

ATOMIC AND MOLECULAR CALCULATIONS WITH THE MODEL POTENTIAL METHOD. II.BONIFACIC V; HUZINAGA S.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 62; NO 4; PP. 1507-1508; BIBL. 1 REF.Article

NONEMPIRICAL LCAO MO SCF STUDIES OF THE GROUP IIA DIHALIDES BEF2,MGF2, AND CAF2GOLE JL; SIU AKQ; HAYES EF et al.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 3; PP. 857-868; BIBL. 35 REF.Serial Issue

NONEMPIRICAL LCAO MO SCF STUDIES OF THE LOW LYING STATES OF BEF2GOLE JL.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 3; PP. 869-875; BIBL. 21 REF.Serial Issue

THE CONTINUITY DILEMNA AND HARTREE-FOCK INSTABILITIES.MOISEYEV N; KATRIEL J.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 29; NO 1; PP. 69-72; BIBL. 13 REF.Article

VALENCE BOND STUDIES OF AH2 MOLECULES. III. A COMPARISON OF MOLECULAR ORBITAL AND VALENCE BOND CALCULATIONS ON CH2.MACLAGAN RGAR; TODD HD.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 34; NO 1; PP. 19-29; BIBL. 19 REF.Article

A "PSEUDO-POTENTIAL" STUDY ON ROOTHAAN'S OPEN-SHELL SYSTEM.NARITA S; SAZI K; I'HAYA YJ et al.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 29; NO 2; PP. 232-235; BIBL. 12 REF.Article

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

RELATIVISTIC SELF-CONSISTENT-FIELD (RSCF) THEORY FOR CLOSED-SHELL MOLECULES.MALLI G; OREG J.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 63; NO 2; PP. 830-841; BIBL. 1 P. 1/2Article

HARTREE-FOCK-ROOTHAAN WAVEFUNCTIONS FOR DIATOMIC MOLECULES. I. FIRST- AND SECOND-ROW HYBRIDES AH, AH +OU- , AND AH*.CADE PE; HUO W.1973; ATOM. DATA NUCL. DATA TABLES; U.S.A.; DA. 1973; VOL. 12; NO 5; PP. 415-466; BIBL. 12 REF.Article

PROJECTED HARTREE PRODUCT WAVEFUNCTIONS. VIII. RELATIONSHIP OF DODS AND SCF ORBITALS FOR BEGALLUP GA.1972; J. CHEM. PHYS.; U.S.A.; DA. 1972; VOL. 58; NO 1; PP. 407; BIBL. 5 REF.Serial Issue

ON THE LOW-LYING ELECTRONIC STATES OF TIH.SCOTT PR; RICHARDS WG.1974; J. PHYS. B; G.B.; DA. 1974; VOL. 7; NO 4; PP. 500-504; BIBL. 11 REF.Article

CALCUL ANALYTIQUE DES INTEGRALES SPIN-SPIN BICENTRIQUES D'ATTRACTION AU NOYAU AVEC DES ORBITALES DE TYPE SLATER CENTREES EN DIVERS POINTSGUSEJNOV II; IMAMOV EH M.1980; ZH. STRUKT. KHIM.; SUN; DA. 1980; VOL. 21; NO 2; PP. 192-193; BIBL. 5 REF.Article

DIFFERENTIAL CROSS SECTIONS FOR COHERENT PHOTON SCATTERING BY ELEMENTS Z=2 THROUGH Z=26.BROWN RT.1975; ATOM. DATA NUCL. DATA TABLES; U.S.A.; DA. 1975; VOL. 15; NO 2; PP. 111-139; BIBL. 11 REF.Article

A COMPARATIVE MOLECULAR ORBITAL STUDY ON THE LOW LYING SINGLET AND TRIPLET STATES OF ETHYLENE OXIDE.MEZEY P; KARI RE; DENES AS et al.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 36; NO 4; PP. 329-338; BIBL. 18 REF.Article

ETUDE THEORIQUE DE LA MOLECULE DE DIAZOMETHANE.LEROY G; SANA M.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 33; NO 4; PP. 329-338; ABS. ANGL.; BIBL. 20 REF.Article

COUPLED HARTREE-FOCK CALCULATION OF THE ELECTRIC DIPOLE HYPERPOLARIZABILITY OF THREE AND FOUR ELECTRON SEQUENCES.ROY HP; BHATTACHARYA AK.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 31; NO 3; PP. 649-656; BIBL. 12 REF.Article

RELATIVISTIC HARTREE-FOCK-ROOTHAAN THEORY FOR OPEN-SHELL ATOMS.KAGAWA T.1975; PHYS. REV., A; U.S.A.; DA. 1975; VOL. 12; NO 6; PP. 2245-2256; BIBL. 40 REF.Article

A NOTE ON A NON-EMPIRICAL MOLECULAR ORBITAL STUDY OF SOME CYTOSINE AND THYMINE TAUTOMERS.GODDARD JD; MEZEY PG; CSIZMADIA IG et al.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 39; NO 1; PP. 1-6; BIBL. 14 REF.Article

RELATIONS BETWEEN MATRIX ELEMENTS IN THE RELATIVISTIC HARTREE-FOCK-ROOTHAN THEORY FOR MOLECULESOREG J; GULZARI MALLI.1979; MOLEC. PHYS.; GBR; DA. 1979; VOL. 37; NO 1; PP. 265-270; BIBL. 5 REF.Article

EXACT FORMULA FOR THE GRADIENT OF THE CI POTENTIAL ENERGY HYPERSURFACETACHIBANA A; YAMASHITA K; YAMABE T et al.1978; CHEM. PHYS. LETTERS; NLD; DA. 1978; VOL. 59; NO 2; PP. 255-260; BIBL. 14 REF.Article

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