Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:("Calcul EHMO")

Publication Year[py]

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

Discipline (document) [di]

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 45

  • Page / 2
Export

Selection :

  • and

Aspects expérimentaux, spectroscopiques et théoriques en chimie inorganique : High and low barriers to haptotropic shifts across polycyclic surfaces : the relevance of aromatic character during the migration processBRYDGES, Stacey; REGINATO, Nada; CUFFE, Laurence P et al.Comptes rendus. Chimie. 2005, Vol 8, Num 9-10, pp 1497-1505, issn 1631-0748, 9 p.Article

Geometry of the pentachlorocuprate(II) ionNIKOLOV, G. ST.Inorganic chemistry (Print). 1994, Vol 33, Num 6, pp 1144-1152, issn 0020-1669Article

Preparation, electrical properties, crystal structure, and electronic structure of Cu4GeS4CHEN, X.-A; ONODA, M; WADA, H et al.Journal of solid state chemistry (Print). 1999, Vol 145, Num 1, pp 204-211, issn 0022-4596Article

Matrix isolation and ESR study of platinum(I) diolefin complexes : norbonadiene and (1,5-cyclooctadiene) platinum dichloride radical anionsBUTTAFAVA, A; FAUCITANO, A; MARTINOTTI, F et al.International journal of radiation applications and instrumentation. Part C, Radiation physics and chemistry. 1994, Vol 45, Num 1, pp 37-43, issn 1359-0197Conference Paper

Small boron carbon chains stabilized in rare earth metallic frameworks : A bonding analysisBAUER, J; BOUCEKKINE, G; FRAPPER, G et al.Journal of solid state chemistry (Print). 1997, Vol 133, Num 1, pp 190-194, issn 0022-4596Conference Paper

Commensurate and incommensurate lattice distortions in DySe1.85 and Rb0.33DySe2.67FORAN, B; LEE, S; ARONSON, M. C et al.Chemistry of materials. 1993, Vol 5, Num 7, pp 974-978, issn 0897-4756Article

Correlations between bond order and bond length in the electron-deficient closo-boranesJOSEPH, J; GIMARC, B. M; MING ZHAO et al.Polyhedron. 1993, Vol 12, Num 23, pp 2841-2848, issn 0277-5387Article

Resolution of the 66-fold superstructure of DySe1.84 by X-ray diffraction and second-moment scaled Hückel calculationsVAN DER LEE, A; HOISTAD, L. M; EVAIN, M et al.Chemistry of materials. 1997, Vol 9, Num 1, pp 218-226, issn 0897-4756Article

Carbon-free fullerenes : condensed and stuffed anionic examples in indium systemsSEVOV, S. C; CORBETT, J. D.Science (Washington, D.C.). 1993, Vol 262, Num 5135, pp 880-883, issn 0036-8075Article

Electron transfer through 2,7,9,10-tetraazaphenanthrene : a quantum interference effect ?MARVAUD, V; LAUNAY, J.-P; JOACHIM, C et al.Chemical physics. 1993, Vol 177, Num 1, pp 23-30, issn 0301-0104Article

Synthesis, structure, and properties of BaGe2 : A study of tetrahedral cluster packing and other three-connected nets in Zintl phasesVAUGHEY, J. T; MILLER, G. J; GRAVELLE, S et al.Journal of solid state chemistry (Print). 1997, Vol 133, Num 2, pp 501-507, issn 0022-4596Conference Paper

Computational chemistry and the design of new materials for xerographic applicationsKAVASSALIS, T. A; KAZMAIER, P. M; BAREMAN, J. P et al.Industrial & engineering chemistry research. 1995, Vol 34, Num 12, pp 4174-4184, issn 0888-5885Conference Paper

Copper extraction from TlCu3S2 : a neutron diffraction and electronic structure calculation studyBERGER, R; DRONSKOWSKI, R; NOREN, L et al.Journal of solid state chemistry (Print). 1994, Vol 112, Num 1, pp 120-125, issn 0022-4596Article

Estimation of magnetic interactions and magnetic structures in charge-transfer salts based on [Cr(isoq)2(NCS)4]- (isoq = isoquinoline)KATSUHARA, Mao; MORI, Takehiko.Journal of the Physical Society of Japan. 2004, Vol 73, Num 12, pp 3335-3340, issn 0031-9015, 6 p.Article

Flexibility of the MPS4-chains of the KMPS4 (M = Ni, Pd) compounds studied by molecular orbital calculations and atomic force microscopy measurementsWHANGBO, M.-H; BENGEL, H; JOBIC, S et al.Journal of solid state chemistry (Print). 1999, Vol 147, Num 1, pp 235-239, issn 0022-4596Article

Manganese(II,III) oxyborate, Mn2OBO3: a distorted homometallic warwickite: synthesis, crystal structure, band calculations, and magnetic susceptibilityNORRESTAM, R; KRITIKOS, M; SJÖDIN, A et al.Journal of solid state chemistry (Print). 1995, Vol 114, Num 2, pp 311-316, issn 0022-4596Article

Platinum silicon antimonide (PtSiSb)MEITIAN WANG; MORGAN, Mark G; MAR, Arthur et al.Journal of solid state chemistry (Print). 2003, Vol 175, Num 2, pp 231-236, issn 0022-4596, 6 p.Article

The rearrangement pathway in [Cp2Mo2(CO)4(RC≡C-CR2)]+ cations : an extended Hückel molecular orbital and Bürgi-Dunitz trajectory studyGIRARD, L; LOCK, P. E; EL AMOURI, H et al.Journal of organometallic chemistry. 1994, Vol 478, Num 1-2, pp 189-196, issn 0022-328XArticle

Crystal and Electronic Structures of the Quasi-Two-Dimensional Organic Conductor α-(BEDT-TTF)2I3 and Its Selenium Analogue α-(BEDT-TSeF)2I3 under Hydrostatic Pressure at Room TemperatureKONDO, Ryusuke; KAGOSHIMA, Seiichi; TAJIMA, Naoya et al.Journal of the Physical Society of Japan. 2009, Vol 78, Num 11, issn 0031-9015, 114714.1-114714.7Article

The X-ray and electronic structures of GdB4GARLAND, Maria Teresa; WIFF, Juan Paulo; BAUER, Josef et al.Solid state sciences. 2003, Vol 5, Num 5, pp 705-710, issn 1293-2558, 6 p.Article

New boron-rich materials: Cubic carbaborides of sodium and potassiumALBERT, B; SCHMITT, K.Chemistry of materials. 1999, Vol 11, Num 11, pp 3406-3409, issn 0897-4756Article

Molecular and crystal structures of complexes of stable free radical BDPA with benzene and acetoneAZUMA, N; OZAWA, T; YAMAUCHI, J et al.Bulletin of the Chemical Society of Japan. 1994, Vol 67, Num 1, pp 31-38, issn 0009-2673Article

Fast geometry optimiztion using a modified extended Hückel method : results for molecules containing H, C, N, O, and FDIXON, S. L; JURS, P. C.Journal of computational chemistry. 1994, Vol 15, Num 7, pp 733-746, issn 0192-8651Article

Mechanism of carbon filament growth on metal catalystsYANG, R. T; CHEN, J. P.Journal of catalysis (Print). 1989, Vol 115, Num 1, pp 52-64, issn 0021-9517Article

Five ternary Zintl phases in the systems alkali-metal-indium-bismuthBOBEV, Svilen; SEVOV, Slavi C.Journal of solid state chemistry (Print). 2002, Vol 163, Num 2, pp 436-448, issn 0022-4596Article

  • Page / 2