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THEORETICAL STUDY OF THE PROPERTIES OF HCO+ AT EQUILIBRIUM.BRUNA PJ.1975; ASTROPHYS. LETTERS; U.S.A.; DA. 1975; VOL. 16; NO 3; PP. 107-113; BIBL. 26 REF.Article

AB INITIO STUDY ON THE ISOMERS HNO+ AND NOH+. VERTICAL SPECTRA AND HEAT OF FORMATIONBRUNA PJ; MARIAN CM.1979; CHEM. PHYS.; NLD; DA. 1979; VOL. 37; NO 3; PP. 425-444; BIBL. 32 REF.Article

VERTICAL ELECTRONIC SPECTRUM OF CS MOLECULE.BRUNA PJ; KAMMER WE; VASUDEVAN K et al.1975; CHEM. PHYS.; NETHERL.; DA. 1975; VOL. 9; NO 1-2; PP. 91-103; BIBL. 38 REF.Article

THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWESTLYING STATES OF THE ISOVALENT DIATOMICS CN+, SI2, SIC, CP+, AND SIN+ USING THE AB INITIO MRD-CI METHODBRUNA PJ; PEYERI MHOFF SD; BUENKER RJ et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 10; PP. 5437-5445; BIBL. 38 REF.Article

AB INITIO SCF AND CI STUDY OF THE HCS+-CSH+ SYSTEM: POTENTIAL SURFACES FOR HYDROGEN ABSTRACTION AND INTERNUCLEAR BENDING FOR GROUND AND EXCITED STATES AND VERTICAL SPECTRUM FOR HCS+.BRUNA PJ; PEYERIMHOFF SD; BUENKER RJ et al.1978; CHEM. PHYS.; NETHERL.; DA. 1978; VOL. 27; NO 1; PP. 33-43; BIBL. 27 REF.Article

THEORETICAL PREDICTION OF THE ELECTRONIC SPECTRUM OF THIOACETONE AND COMPARISON WITH RELATED SYSTEMS.BRUNA PJ; BUENKER RJ; PEYERIMHOFF SD et al.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 22; NO 3; PP. 375-382; BIBL. 21 REF.Article

AB INITIO STUDY OF THE STRUCTURE, ISOMERS AND VERTICAL ELECTRONIC SPECTRUM OF THE FORMYL RADICAL HCO.BRUNA PJ; BUENKER RJ; PEYERIMHOFF SD et al.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 32; NO 2; PP. 217-233; BIBL. 29 REF.Article

AB INITIO INVESTIGATION OF THE HCO+ AND COH+ MOLECULE-IONS: STRUCTURE AND POTENTIAL SURFACES FOR DISSOCIATION IN GROUND AND EXCITED STATES.BRUNA PJ; PEYERIMHOFF SD; BUENKER RJ et al.1975; CHEM. PHYS.; NETHERL.; DA. 1975; VOL. 10; NO 2-3; PP. 323-334; BIBL. 21 REF.Article

COMPARISON OF PERTURBATIVELY CORRECTED MRD CI RESULTS WITH A FULL CI TREATMENT OF THE BH GROUND STATEBURTON PG; BUENKER RJ; BRUNA PJ et al.1983; CHEMICAL PHYSICS LETTERS; ISSN 0009-2614; NLD; DA. 1983; VOL. 95; NO 4-5; PP. 379-385; BIBL. 21 REF.Article

A THEORETICAL STUDY OF THE LOWEST 2B1, 2A1 AND 2B2 ELECTRONIC STATES IN H2S+ AND A COMPARISON WITH CORRESPONDING STATES IN RELATED SYSTEMSBRUNA PJ; HIRSCH G; PERIC M et al.1980; MOLEC. PHYS.; GBR; DA. 1980; VOL. 40; NO 3; PP. 521-537; BIBL. 38 REF.Article

COMPARISON OF THE STRUCTURE AND SPECTRA OF THE HNO+ AND NOH+ IONS USING AB INITIO SCF AND CI METHODS.MARIAN C; BRUNA PJ; BUENKER RJ et al.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 1; PP. 63-74; BIBL. 21 REF.Article

STABILITY AND STRUCTURE OF THE C2H6+ ION: INVESTIGATION OF THE PHOTOELECTRON SPECTRUM OF ETHANE BELOV 14 EV USING AB INITIO METHODS.RICHARTZ A; BUENKER RJ; BRUNA PJ et al.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 5; PP. 1345-1366; BIBL. 31 REF.Article

NON-ADIABATIC COUPLING MATRIX ELEMENTS <PSI 2/DELTA /DELTA Q/PSI BETA -> FOR LARGE CI WAVEFUNCTIONSHIRSCH G; BRUNA PJ; BUENKER RJ et al.1980; CHEM. PHYS.; NLD; DA. 1980; VOL. 45; NO 3; PP. 335-347; BIBL. 20 REF.Article

A THEORETICAL STUDY OF THE VIBRONIC STRUCTURE IN THE ELECTRONIC SPECTRUM OF HNO+PERIC M; MLADENOVIC M; FEJZO J et al.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 88; NO 6; PP. 547-552; BIBL. 15 REF.Article

NON-EMPIRICAL CI POTENTIAL CURVES FOR THE GROUND AND EXCITED STATES OF PH AND ITS POSITIVE IONSBRUNA PJ; HIRSCH G; PEYERIMHOFF SD et al.1981; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1981; VOL. 42; NO 4; PP. 875-898; BIBL. 48 REF.Article

THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE CSI+ AND SI2+ MOLECULAR IONSBRUNA PJ; PETRONGOLO C; BUENKER RJ et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 8; PP. 4611-4620; BIBL. 17 REF.Article

AB INITIO SCF AND CI CALCULATIONS FOR GROUND AND LOW-LYING VALENCE AND RYDBERG EXCITED STATES OF HOCL AND HCLO IN LINEAR AND BENT NUCLEAR CONFORMATIONSBRUNA PJ; HIRSCH G; PEYERIMHOFF SD et al.1979; CANAD. J. CHEM.; CAN; DA. 1979; VOL. 57; NO 14; PP. 1839-1851; ABS. FRE; BIBL. 33 REF.Article

AB INITIO STUDY OF THE STABILITY AND ELECTRONIC SPECTRUM OF THE HOCL MOLECULE.HIRSCH G; BRUNA PJ; PEYERIMHOFF SD et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 52; NO 3; PP. 442-448; BIBL. 27 REF.Article

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