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DETERMINATION THEORIQUE DE PSEUDO-POTENTIELS ATOMIQUES ET APPLICATIONS MOLECULAIRES.BARTHELAT JC.1977; ; S.L.; DA. 1977; PP. (189P.); BIBL. DISSEM.; (THESE DOCT. SCI., SPEC. CHIM. QUANTIQUE; PAUL SABATIER TOULOUSE)Thesis

NEW ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS.DURAND P; BARTHELAT JC.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 27; NO 2; PP. 191-194; BIBL. 17 REF.Article

CAPABILITY OF PSEUDOPOTENTIAL METHODS TO STIMULATE ALL-ELECTRON CALCULATIONS WITH FLOATING SPHERICAL GAUSSIAN ORBITALS.BARTHELAT JC; DURAND P.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 40; NO 3; PP. 407-409; BIBL. 14 REF.Article

PSEUDO-POTENTIEL ET ORBITALES MOLECULAIRES DELOCALISEES. APPLICATION AUX MOLECULES DE METHANE, ETHYLENE ET ACETYLENE.BARTHELAT JC; DURAND P.1974; J. CHIM. PHYS. PHYS.-CHIM. BIOL.; FR.; DA. 1974; VOL. 71; NO 7-8; PP. 1105-1109; ABS. ANGL.; BIBL. 19 REF.Article

THEORETICAL INVESTIGATIONS ON SOME C2SIH4 ISOMERSBARTHELAT JC; TRINQUIER G; BERTRAND G et al.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 14; PP. 3785-3789; BIBL. 26 REF.Article

NON-EMPIRICAL PSEUDO-POTENTIALS FOR MOLECULAR CALCULATIONS. III: APPLICATIONS TO TRANSITION METAL COMPOUNDSSERAFINI A; BARTHELAT JC; DURAND P et al.1978; MOLEC. PHYS.; GBR; DA. 1978; VOL. 36; NO 5; PP. 1341-1357; BIBL. 33 REF.Article

VALENCE ELECTRONIC STRUCTURE AND INTERNAL ROTATION BARRIER OF THE MOLECULES XH3YH3 (X,Y=C, SI, GE) BY A PSEUDOTENTIAL METHOD.NICOLAS G; BARTHELAT JC; DURAND P et al.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 6; PP. 1346-1350; BIBL. 33 REF.Article

MINIMAL-BASIS-ADAPTED PSEUDOPOTENTIALS FOR TRANSITION METAL ATOMSJEUNG GH; BARTHELAT JC; PELISSIER M et al.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 91; NO 2; PP. 81-85; BIBL. 16 REF.Article

ANALYTICAL RELATIVISTIC SELF-CONSISTENT FIELD CALCULATIONS FOR ATOMSBARTHELAT JC; PELISSIER M; DURAND P et al.1980; PHYS. REV. A; ISSN 0556-2791; USA; DA. 1980; VOL. 21; NO 6; PP. 1773-1785; BIBL. 21 REF.Article

NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS. II. BASIS SET EXTENSION AND CORRELATION EFFECTS ON THE X2 MOLECULES (X=F, CL, BR, I).TEICHTEIL C; MALRIEU JP; BARTHELAT JC et al.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 1; PP. 181-197; BIBL. 19 REF.Article

NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS. I. THE PSIBMOL ALGORITHM AND TEST CALCULATIONS.BARTHELAT JC; DURAND P; SERAFINI A et al.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 1; PP. 159-180; BIBL. 16 REF.Article

NON-EMPIRICAL PSEUDOPOTENTIALS (PSIBMOL ALGORITHM) FOR MOLECULAR CALCULATIONS: THE RH2CL2(CO)4 COMPLEXSERAFINI A; POILBLANC R; LABARRE JF et al.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 50; NO 2; PP. 159-167; BIBL. 11 REF.Article

STRUCTURE AND SINGLET-TRIPLET SEPARATION IN SIMPLE GERMYLENES GEH2, GEF2 AND GE(CH3)2BARTHELAT JC; SAINT ROCH B; TRINQUIER G et al.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 12; PP. 4080-4085; BIBL. 35 REF.Article

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