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La ricerca find articoli where soggetti phrase all words 'ELECTRON LOCALIZATION FUNCTION' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 47 riferimenti
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    1. Raub, S; Jansen, G
      A quantitative measure of bond polarity from the electron localization function and the theory of atoms in molecules

      THEORETICAL CHEMISTRY ACCOUNTS
    2. Calatayud, M; Andres, J; Beltran, A; Silvi, B
      The hierarchy of localization basins: a tool for the understanding of chemical bonding exemplified by the analysis of the VOx and VOx+ (x=1-4) systems

      THEORETICAL CHEMISTRY ACCOUNTS
    3. Molina, JM; Dobado, JA
      The three-center-four-electron (3c-4e) bond nature revisited. An atoms-in-molecules theory (AIM) and ELF study

      THEORETICAL CHEMISTRY ACCOUNTS
    4. Molina, JM; Dobado, JA; Heard, GL; Bader, RFW; Sundberg, MR
      Recognizing a triple bond between main group atoms

      THEORETICAL CHEMISTRY ACCOUNTS
    5. Calatayud, M; Andres, J; Beltran, A
      A systematic density functional. theory study of VxOy+ and VxOY (X=2-4, Y=2-10) systems

      JOURNAL OF PHYSICAL CHEMISTRY A
    6. Andrews, L; Wang, XF; Alikhani, ME; Manceron, L
      Observed and calculated infrared spectra of Pd(H-2)(1,2,3) complexes and palladium hydrides in solid argon and neon

      JOURNAL OF PHYSICAL CHEMISTRY A
    7. Wengert, S; Willems, JB; Nesper, R
      Ba4Si3Br2: A double salt of barium bromide and barium silicide containing a novel cyclotrisilicide unit

      CHEMISTRY-A EUROPEAN JOURNAL
    8. Kuznetsov, AN; Kloo, L; Lindsjo, M; Rosdahl, J; Stoll, H
      Ah initio calculations on bismuth cluster polycations

      CHEMISTRY-A EUROPEAN JOURNAL
    9. Krokidis, X; Moriarty, NW; Lester, WA; Frenklach, M
      A quantum Monte Carlo study of energy differences in C4H3 and C4H5 isomers

      INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
    10. Chesnut, DB
      The use of parameter ratios to characterize the formal order of chemical bonds

      CHEMICAL PHYSICS
    11. Chesnut, DB
      Localization function study of excitation processes in a set of small isoelectronic molecules

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    12. Isea, R
      What is the maximum stretching for C-C single bond?

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    13. Zurcher, F; Nesper, R; Hoffmann, S; Fassler, TF
      Novel arachno-type X-5(6-) zintl anions in Sr3Sn5,Ba3Sn5, and Ba3Pb5 and charge influence on Zintl clusters

      ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
    14. Joubert, L; Silvi, B; Picard, G
      Topological approach in the structural and bonding characterization of lanthanide trihalide molecules

      THEORETICAL CHEMISTRY ACCOUNTS
    15. Fuster, F; Silvi, B
      Does the topological approach characterize the hydrogen bond?

      THEORETICAL CHEMISTRY ACCOUNTS
    16. Silvi, B; Gatti, C
      Direct space representation of the metallic bond

      JOURNAL OF PHYSICAL CHEMISTRY A
    17. Rousseau, R; Marx, D
      Exploring the electronic structure of elemental lithium: From small molecules to nanoclusters, bulk metal, and surfaces

      CHEMISTRY-A EUROPEAN JOURNAL
    18. Grutzmacher, H; Fassler, TF
      Topographical analyses of homonuclear multiple bonds between main group elements

      CHEMISTRY-A EUROPEAN JOURNAL
    19. Chesnut, DB; Bartolotti, LJ
      The pair density description of aromaticity in some substituted cyclopentadienyl systems: a comparison of AIM and ELF bonding descriptors

      CHEMICAL PHYSICS
    20. Chestnut, DB; Bartolotti, LJ
      The electron localization function description of aromaticity in five-membered rings

      CHEMICAL PHYSICS
    21. Fuster, F; Sevin, A; Silvi, B
      Determination of substitutional sites in heterocycles from the topologicalanalysis of the electron localization function (ELF)

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    22. Fassler, TF; Hoffmann, S
      SrSn3 - a superconducting alloy with non-bonding electron pairs

      ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
    23. Wengert, S; Nesper, R
      Ba6Mg10.8Li1.2Si12, the first compound containing three different zintl anions

      ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
    24. Berges, J; Fuster, F; Jacquot, JP; Silvi, B; Houee-Levin, C
      Influence of protonation on the stability of disulfide radicals

      NUKLEONIKA
    25. Fuster, F; Silvi, B; Berski, S; Latajka, Z
      Topological aspects of protonation and hydrogen bonding: the dihydrogen bond case

      JOURNAL OF MOLECULAR STRUCTURE
    26. Berski, S; Lundell, J; Latajka, Z
      A density functional study of the xenon dihydride-water complex

      JOURNAL OF MOLECULAR STRUCTURE
    27. Nesper, R; Wengert, S; Zurcher, F; Currao, A
      Electronic variations in carbonate- and phosphane-related 24- and 26-electron E-4 clusters of silicon and germanium

      CHEMISTRY-A EUROPEAN JOURNAL
    28. Fourre, I; Silvi, B; Chaquin, P; Sevin, A
      Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    29. Llusar, R; Beltran, A; Andres, J; Noury, S; Silvi, B
      Topological analysis of electron density in depleted homopolar chemical bonds

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    30. Joubert, L; Picard, G; Silvi, B; Fuster, F
      Electron localization function view of bonding in selected aluminum fluoride molecules

      THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
    31. Gil, RC; Carrillo-Cabrera, W; Schultheiss, M; Peters, K; von Schnering, HG; Grin, Y
      New examples for the unexpected stability of the 10 pi-electron Huckel arene [Si-6](10-)

      ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
    32. Nesper, R; Wengert, S
      Sr12Mg17.8Li2.2Si20, the first Zintl-phase with a Si-3 chain

      MONATSHEFTE FUR CHEMIE
    33. Zurcher, F; Nesper, R
      Ba3Ge4: Polymerization of Zintl anions in the solid and bond stretching isomerism

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    34. HOCHREIN O; GRIN Y; KNIEP R
      THE HEXANITRIDODIMANGANATE(IV) LI6CA2[MN2N6] - PREPARATION, CRYSTAL-STRUCTURE, AND CHEMICAL BONDING

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    35. NESPER R; CURRAO A; WENGERT S
      NONAROMATIC PLANAR SI-12 RING-SYSTEM OF APPROXIMATE D-6H SYMMETRY IN CA7MG7.5+ -DELTA-SI14/

      Chemistry (Weinheim)
    36. ALIKHANI ME; SILVI B
      DFT-PREDICTED STRUCTURAL, VIBRATIONAL, AND BONDING PROPERTIES OF XSIOAND X2SIO (X = F, CL, OR BR) MOLECULES

      Journal of computational chemistry
    37. KALPEN H; HONLE W; SOMER M; SCHWARZ U; PETERS K; VONSCHNERING HG; BLACHNIK R
      BISMUTH(II) CHALCOGENOMETALLATES(III) BI2 M4X8, COMPOUNDS WITH BI-2(4+) DUMBBELLS (M = AL, GA AND X = S, SE)

      Zeitschrift fur anorganische und allgemeine Chemie
    38. WENGERT S; NESPER R
      STRUCTURE AND PROPERTIES OF BA2MG3SI4, A ZINTL PHASE WITH PLANAR SI-6UNITS

      Zeitschrift fur anorganische und allgemeine Chemie
    39. KALPEN H; GRIN Y; VONSCHNERING HG
      BIGAIN2S6 - SYNTHESIS, STRUCTURE, AND PROPERTIES

      Zeitschrift fur anorganische und allgemeine Chemie
    40. FRISON G; MATHEY F; SEVIN A
      THEORETICAL-STUDY OF ELECTROPHILIC VERSUS NUCLEOPHILIC CHARACTER OF TRANSITION-METAL COMPLEXES OF PHOSPHINIDENE

      Journal of organometallic chemistry
    41. JANSEN G; SCHUBART M; FINDEIS B; GADE LH; SCOWEN IJ; MCPARTLIN M
      UNSUPPORTED TI-CO AND ZR-CO BONDS IN HETEROBIMETALLIC COMPLEXES - A THEORETICAL DESCRIPTION OF METAL-METAL BOND POLARITY

      Journal of the American Chemical Society
    42. FASSLER TF; KRONSEDER C
      BASN3 - A SUPERCONDUCTOR AT THE BORDER OF ZINTL PHASES AND INTERMETALLIC COMPOUNDS REAL-SPACE ANALYSIS OF BAND STRUCTURES

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    43. SAVIN A; NESPER R; WENGERT S; FASSLER TF
      ELF - THE ELECTRON LOCALIZATION FUNCTION

      Angewandte Chemie, International Edition in English
    44. KOHOUT M; SAVIN A
      INFLUENCE OF CORE-VALENCE SEPARATION OF ELECTRON LOCALIZATION FUNCTION

      Journal of computational chemistry
    45. LARSSON AK; HAEBERLEIN M; LIDIN S; SCHWARZ U
      SINGLE-CRYSTAL STRUCTURE REFINEMENT AND HIGH-PRESSURE PROPERTIES OF COSN

      Journal of alloys and compounds
    46. SAVIN A; SILVI B; COLONNA F
      TOPOLOGICAL ANALYSIS OF THE ELECTRON LOCALIZATION FUNCTION APPLIED TODELOCALIZED BONDS

      Canadian journal of chemistry
    47. GRIN Y; WEDIG U; VONSCHNERING HG
      HYPERBOLIC LONE-PAIR STRUCTURE IN RHBI4

      Angewandte Chemie, International Edition in English


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 26/10/20 alle ore 14:46:56