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KOLLEKTIVE EFFEKTE IN FERMISYSTEMEN BEI ENDLICHEN TEMPERATUREN. = EFFETS COLLECTIFS DANS DES SYSTEMES DE FERMI POUR DES TEMPERATURES FINIESFENNEL W; KRAEFT D; KREMP D et al.1975; WISSENSCH. Z. UNIV. ROSTOCK, MAT.-NATURWISSENSCH. REIHE; DTSCH.; DA. 1975; VOL. 24; NO 5; PP. 693-703; ABS. RUSSE ANGL. FR.; BIBL. 14 REF.Article

SPHERICALLY SYMMETRIC AXIAL GAUSSIAN LOBE 3D AND 4F ORBITALSSHILLADY DD; TALLEY DB.1982; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1982; VOL. 3; NO 2; PP. 130-134; BIBL. 15 REF.Article

DIATOMIC INTERACTIONS IN MOMENTUM SPACE. THE EFFECT OF POLARIZATION AND FLOATING FUNCTIONSKOGA T; SHIMOKAWA K; INAGAWA I et al.1982; THEORETICA CHIMICA ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 62; NO 1; PP. 39-53; BIBL. 22 REF.Article

EFFECT OF ELECTRON CORRELATION ON THEORETICAL VIBRATIONAL FREQUENCIESHOUT RF JR; LEVI BA; HEHRE WJ et al.1982; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1982; VOL. 3; NO 2; PP. 234-250; BIBL. 20 REF.Article

ROLE OF ELECTRON CORRELATION AND POLARIZATION FUNCTIONS IN THE ENERGY DIFFERENCE BETWEEN CIS- AND TRANS-1,2-DIFLUOROETHYLENEGANDHI SR; BENZEL MA; DYKSTRA CE et al.1982; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1982; VOL. 86; NO 16; PP. 3121-3126; BIBL. 40 REF.Article

ROTATIONAL AND VIBRATIONNAL SPECTRA OF ETHYNOL FROM QUANTUM-MECHANICAL CALCULATIONSDE FREES DJ; MCLEAN AD.1982; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1982; VOL. 86; NO 15; PP. 2835-2837; BIBL. 30 REF.Article

STANDARD BASIS SETS WITH POLARIZATION FUNCTIONSZHU ZH; MURRELL JN.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 88; NO 3; PP. 262-265; BIBL. 15 REF.Article

THE EQUILIBRIUM STRUCTURES OF THE NN-HF AND OC-HF COMPLEXESBENZEL MA; DYKSTRA CE.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 3; PP. 1602-1603; BIBL. 17 REF.Article

FEATURES OF THE H2CO POTENTIAL ENERGY HYPERSURFACE PERTINENT TO FORMALDEHYDE PHOTODISSOCIATIONGODDARD JD; YAMAGUCHI Y; SCHAEFER HF III et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 7; PP. 3459-3465; BIBL. 39 REF.Article

SPIN-UNRESTRICTED HARTREE-FOCK STUDY OF THE GROUND STATE OF BEF2-CANUTO S.1981; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1981; VOL. 14; NO 19; PP. 3537-3542; BIBL. 25 REF.Article

THE STABILIZING EFFECT OF D ORBITALS ON THE CENTRAL NITROGEN ATOM IN NITROGEN-OXYGEN MOLECULES AND IONSBAIRD NC; TAYLOR KF.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 80; NO 1; PP. 83-86; BIBL. 13 REF.Article

THEORETICAL STUDY OF THE H3- CLUSTERRAYEZ JC; RAYEZ MEAUME MT; MASSA LJ et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 11; PP. 5393-5397; BIBL. 20 REF.Article

ACCURATE AB INITIO GRADIENT CALCULATION OF THE STRUCTURES AND CONFORMATIONS OF SOME BORIC AND FLUOROBORIC ACIDS, BASIS-SET EFFECTS ON ANGLES AROUND OXYGENBOOGS JE; CORDELL FR.1981; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1981; VOL. 76; NO 4; PP. 329-347; BIBL. 26 REF.Article

PSEUDOPOTENTIAL SCF STUDY OF THE PALLADIUM ATOM-ETHYLENE SYSTEMGARCIA PRIETO J; NOVARO O.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 1; PP. 205-217; BIBL. 26 REF.Article

SCATTERING OF LOW-ENERGY POSITRONS BY MERCURY ATOMSSIN FAI LAM LT.1980; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1980; VOL. 13; NO 13; PP. L427-L429; BIBL. 6 REF.Article

STUDY OF LOCALIZABILITY FOR SOME SMALL MOLECULESKAPUY E; KOZMUTZA C; DAUDEL R et al.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 72; NO 2; PP. 275-277; BIBL. 10 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 MO CALCULATION OF FORCE CONSTANTS AND DIPOLE DERIVATIVES FOR FORMAMIDESUGAWARA Y; HAMADA Y; HIRAKAWA AY et al.1980; CHEM. PHYS.; NLD; DA. 1980; VOL. 50; NO 1; PP. 105-111; BIBL. 14 REF.Article

AN AB INITIO CALCULATION OF THE ZERO-FIELD SPLITTING PARAMETERS OF THE 3A'' STATE OF FORMALDEHYDEDAVIDSON ER; ELLENBOGEN JC; LANGHOFF SR et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 2; PP. 865-869; BIBL. 11 REF.Article

CAN CYCLOPROPYNE REALLY BE MADE.SAXE P; SCHAEFER HF III.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 9; PP. 3239-3240; BIBL. 9 REF.Article

AB INITIO STUDIES OF WEAKLY BOUND COMPLEXES BETWEEN SOME NONPOLAR MOLECULES AND HYDROGEN FLUORIDESAPSE AM.1983; JOURNAL OF CHEMICAL PHYSICS; ISSN 0021-9606; USA; DA. 1983; VOL. 78; NO 9; PP. 5733-5737; BIBL. 12 REF.Article

CARBENIUM-CARBONIUM STRUCTURES, H2C+-CH4+, FOR THE ETHANE DICATIONVON RAGUE SCHLEYER P; JOS KJ; POPLE JA et al.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 13; PP. 3771-3773; BIBL. 11 REF.Article

EFFECTS OF POLAR SUBTITUENTS ON CARBON-SILICON MULTIPLE BONDSGORDON MS.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 16; PP. 4352-4357; BIBL. 37 REF.Article

MOLECULAR ORBITAL THEORIES AND THE STRUCTURAL PROPERTIES OF MOLECULESPOPLE JA.1982; BERICHTE DER BUNSENGESELLSCHAFT FUER PHYSIKALISCHE CHEMIE; ISSN 0005-9021; DEU; DA. 1982; VOL. 86; NO 9; PP. 806-811; BIBL. 16 REF.Article

RESTRICTED AND UNRESTRICTED HARTREE-FOCK CALCULATIONS ON THE GEOMETRY OF THE METHYL RADICALPACANSKY J.1982; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1982; VOL. 86; NO 4; PP. 485-488; BIBL. 14 REF.Article

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