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    1. Shalabi, AS; Eid, KM
      F-2-defect-based model for latent image formation and interactions of O, O- and O2- adsorbates at AgCl and AgBr (001) surfaces: DFT calculations

      JOURNAL OF MOLECULAR MODELING
    2. Ignaczak, A
      DFT calculations of the interaction of alkali ions with copper and silver

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    3. Shestakova, AK; Chertkov, VA; Schneider, HJ; Lysenko, KA
      A first comparison of solid state and solution structure of a complex between lanthanum nitrate and 1,9-diaza-18-crown-6

      ORGANIC LETTERS
    4. Borowski, T; Krol, M; Chruszcz, M; Broclawik, E
      First principle calculations for the non-heme iron centers of lipoxygenases: Geometrical and spectral properties

      JOURNAL OF PHYSICAL CHEMISTRY B
    5. Kato, T; Kang, SY; Xu, X; Yamabe, T
      Possible dissociative adsorption of CH3OH and CH3NH2 on Si(100)-2 x 1 surface

      JOURNAL OF PHYSICAL CHEMISTRY B
    6. Yezdimer, EM; Chialvo, AA; Cummings, PT
      Examination of chain length effects on the solubility of alkanes in near-critical and supercritical aqueous solutions

      JOURNAL OF PHYSICAL CHEMISTRY B
    7. Guzman, O; del Rio, F
      Theoretical equation of state of dense nonconformal fluids from effective potentials. 1. Applications to model systems

      JOURNAL OF PHYSICAL CHEMISTRY B
    8. Krauss, M; Gilson, HSR; Gresh, N
      Structure of the first-shell active site in metallolactamase: Effect of water ligands

      JOURNAL OF PHYSICAL CHEMISTRY B
    9. Worthington, SE; Roitberg, AE; Krauss, M
      An MD/QM study of the chorismate mutase-catalyzed Claisen rearrangement reaction

      JOURNAL OF PHYSICAL CHEMISTRY B
    10. Worthington, SE; Krauss, M
      The Claisen rearrangement of an unusual substrate in chorismate mutase

      JOURNAL OF PHYSICAL CHEMISTRY B
    11. Derosa, PA; Seminario, JM
      Electron transport through single molecules: Scattering treatment using density functional and green function theories

      JOURNAL OF PHYSICAL CHEMISTRY B
    12. Kryachko, ES; Arbuznikov, AV; Hendrickx, MFA
      Modeling chemisorption of benzene and its hydrogenation on platinum surfaces. 1. Complexes of benzene with Pt and Pt-2

      JOURNAL OF PHYSICAL CHEMISTRY B
    13. Horvat, SM; Schiesser, CH
      Polysilane and related radical rearrangements: an ab initio study of (1,2)-silyl, germyl and stannyl translocations in radicals derived from trisilanes and related species

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    14. Yoshida, M; Tsuzuki, S; Goto, M; Nakanishi, F
      Gas phase cation-pi complexation of cyclic and acyclic organosilicon compounds: electrospray mass spectrometry analysis and theoretical investigationby ab initio molecular orbital calculations

      JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
    15. Caballero, A; Gomez-de la Torre, F; Jalon, FA; Manzano, BR; Rodriguez, AM; Trofimenko, S; Sigalas, MP
      Synthesis and characterisation of a series of ruthenium scorpionate complexes with B-H center dot center dot center dot M agostic nteractions. Crystal structure of [RuH(kappa(2)-N,BH Tp(Tn))(PMe3)(cod)] (Tp(Tn) = hydrotris[3-(2-thienyl)pyrazol-1-yl]borate)

      JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
    16. Hinchley, SL; Smart, BA; Morrison, C; Robertson, HE; Rankin, DWH; Coxall, RA; Parsons, S; Zink, R; Siegl, H; Hassler, K; Mawhorter, R
      Molecular, structure of (BuCl2SiSiCl2But)-Cl-t in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds (BuX2SiSiX2But)-X-t (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations

      JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
    17. Abis, L; Armelao, L; Dell'Amico, DB; Calderazzo, F; Garbassi, F; Merigo, A; Quadrelli, EA
      Gold molecular precursors and gold-silica interactions

      JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
    18. Kuroda, Y; Kumashiro, R; Itadani, A; Nagao, M; Kobayashi, H
      A more efficient copper-ion-exchanged ZSM-5 zeolite for N-2 adsorption at room temperature: Ion-exchange in an aqueous solution of Cu(CH3COO)(2)

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    19. Lischka, H; Shepard, R; Pitzer, RM; Shavitt, I; Dallos, M; Muller, T; Szalay, PG; Seth, M; Kedziora, GS; Yabushita, S; Zhang, ZY
      High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    20. Reis, H; Raptis, SG; Papadopoulos, MG
      Comparison of the non-linear optical properties of a dimethylaminostilbenederivative containing a molybdenum mononitrosyl redox centre and of p,p '-dimethylaminonitrostilbene, calculated by ab-initio methods

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    21. Renold, S; Plibersek, S; Stoll, EP; Claxton, TA; Meier, PF
      First-principles calculation of electric field gradients and hyperfine couplings in YBa2CU3O7

      EUROPEAN PHYSICAL JOURNAL B
    22. Jodicke, T; Menges, F; Kehr, G; Erker, G; Howeler, U; Frohlich, R
      Conformational features of group-4 ansa-metallocenes with long -(CH2)(n) -Chains connecting their cyclopentadienyl ligands

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    23. Pettinari, C; Marchetti, F; Cingolani, A; Gindulyte, A; Massa, L; Rossi, M; Caruso, F
      syn-anti Conversion in octahedral bis(beta-diketonato)diorganotin(IV) derivatives containing fluorinated 4-acyl-5-pyrazolonato donors

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    24. Narbutt, J; Czerwinski, M; Krejzler, J
      Seven-coordinate d(0) and d(10) ions - Computational and experimental studies on tris(tropolonato)metal(III)-TOPO adducts

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    25. Schoeller, WW; Rozhenko, AB; Grigoleit, S
      On the d(6)-transition metal complex formation of electron-rich methylenephosphanes, a quantum chemical investigation

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    26. Schatzschneider, U; Weyhermuller, T; Rentschler, E
      Metal complexes with nitronyl nitroxide substituted phenolate ligands providing new magnetic exchange interaction pathways - Synthesis, structures, magnetic dilution studies, and ab initio calculations

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    27. Haenel, MW; Oevers, S; Angermund, K; Kaska, WC; Fan, HJ; Hall, MB
      Thermally stable homogeneous catalysts for alkane dehydrogenation

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    28. Bartolome, C; de Blas, R; Espinet, P; Martin-Alvarez, JM; Villafane, F
      Self-assembly of pyramidal tetrapalladium complexes with a halide at the apex

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    29. Straka, M; Dyall, KG; Pyykko, P
      Ab initio study of bonding trends for f(0) actinide oxyfluoride species

      THEORETICAL CHEMISTRY ACCOUNTS
    30. Czerwinski, M; Matusiewicz, M
      Comparison of magnetic and thermal properties of prismane and double-cubane [Fe6S6](4+) superclusters

      THEORETICAL CHEMISTRY ACCOUNTS
    31. Wang, SF; Feng, JK; Sun, CC; Liu, P; Gao, Z; Kong, FA
      Theoretical study of silicon-sulfur clusters (SiS2)(n) (n=1-6)

      THEORETICAL CHEMISTRY ACCOUNTS
    32. Fejes, I; Billes, F
      Investigation of the structure of chalcogenide glasses

      MAGYAR KEMIAI FOLYOIRAT
    33. Probst, M; Deutsch, H; Becker, K; Mark, TD
      Calculations of absolute electron-impact ionization cross sections for molecules of technological relevance using the DM formalism

      INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    34. Cora, F; Catlow, CRA; Lewis, DW
      Design of microporous transition metal oxide catalysts and investigation of their synthesis conditions

      JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
    35. Louis, AA
      Effective potentials for polymers and colloids: beyond the van der Waals picture of fluids?

      PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
    36. Dijkstra, M
      Computer simulations of charge and steric stabilised colloidal suspensions

      CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
    37. Foix, D; Gonbeau, D; Taillades, G; Pradel, A; Ribes, M
      The structure of ionically conductive chalcogenide glasses: a combined NMR, XPS and ab initio calculation study

      SOLID STATE SCIENCES
    38. Matsuwaki, T; Nakajima, T; Yamashita, K
      Density functional study on the adsorption of DMAH on hydrogen terminated Si(111) surfaces

      JOURNAL DE PHYSIQUE IV
    39. Rizopoulos, AL; Sigalas, MP
      Central metal dependence of the NO+-NO- isomerism in pentacoordinate MX(CO)(NO)(PR3)(2) complexes

      NEW JOURNAL OF CHEMISTRY
    40. Blasco, S; Demachy, I; Jean, Y; Lledos, A
      DFT study of the structural and redox properties of [Cp2Fe2S4](q) complexes (q=0,+2,+1 and-2)

      NEW JOURNAL OF CHEMISTRY
    41. Lamsabhi, AM; Bouab, W; Esseffar, M; Alcami, M; Yanez, M; Abboud, JLM
      Basicity of some carbonyl compounds towards iodine monochloride: experimental and theoretical study

      NEW JOURNAL OF CHEMISTRY
    42. Marchenko, AV; Gerard, H; Eisenstein, O; Caulton, KG
      A comparative study of olefin or acetylene insertion into Ru-H or Os-H of MHCl(CO)(phosphine)(2)

      NEW JOURNAL OF CHEMISTRY
    43. Moigno, D; Kiefer, W; Callejas-Gaspar, B; Gil-Rubio, J; Werner, H
      Metal-carbon vibrational modes as a probe of the trans influence in vinylidene and carbonyl rhodium(I) complexes

      NEW JOURNAL OF CHEMISTRY
    44. Marchenko, AV; Gerard, H; Eisenstein, O; Caulton, KG
      A comprehensive view of M-H addition across the RC CH bond: frustration culminating in ultimate union

      NEW JOURNAL OF CHEMISTRY
    45. Mark, P; Nilsson, L
      Structure and dynamics of the TIP3P, SPC, and SPC/E water models at 298 K

      JOURNAL OF PHYSICAL CHEMISTRY A
    46. Macchi, P; Schultz, AJ; Larsen, FK; Iversen, BB
      Experimental and theoretical electron density study of the peroxo functionin oxoperoxo(pyridine-2,6-dicarboxylato)(hexamethylphosphoramide)molybdenum (VI): Implications for olefin epoxidation by peroxo transition metal complexes

      JOURNAL OF PHYSICAL CHEMISTRY A
    47. Mitric, R; Hartmann, M; Stanca, B; Bonacic-Koutecky, V; Fantucci, P
      Ab initio adiabatic dynamics combined with Wigner distribution approach tofemtosecond pump-probe negative ion to neutral to positive ion (NeNePo) spectroscopy of Ag2Au, Ag-4, and Au-4 clusters

      JOURNAL OF PHYSICAL CHEMISTRY A
    48. Dutta, A; Giri, D; Das, KK
      Theoretical study of the electronic spectrum of indium arsenide

      JOURNAL OF PHYSICAL CHEMISTRY A
    49. Joubert, L; Maldivi, P
      A structural and vibrational study of uranium(III) molecules by density functional methods

      JOURNAL OF PHYSICAL CHEMISTRY A
    50. Lee, EPF; Soldan, P; Wright, TG
      Structure and binding energies of monohydrated Cd and Cd2+

      JOURNAL OF PHYSICAL CHEMISTRY A
    51. Wang, Q; Pitzer, RM
      Structure and spectra of UO2F2 and its hydrated species

      JOURNAL OF PHYSICAL CHEMISTRY A
    52. Koseki, S; Fedorov, DG; Schmidt, MW; Gordon, MS
      Spin-orbit splittings in the third-row transition elements: Comparison of effective nuclear charge and full Breit-Pauli calculations

      JOURNAL OF PHYSICAL CHEMISTRY A
    53. Check, CE; Faust, TO; Bailey, JM; Wright, BJ; Gilbert, TM; Sunderlin, LS
      Addition of polarization and diffuse functions to the LANL2DZ basis set for p-block elements

      JOURNAL OF PHYSICAL CHEMISTRY A
    54. Citra, A; Wang, XF; Bare, WD; Andrews, L
      Reactions of laser-ablated platinum with nitrogen: Matrix infrared spectraof platinum nitride, complexes, and anions

      JOURNAL OF PHYSICAL CHEMISTRY A
    55. Derosa, PA; Seminario, JM; Balbuena, PB
      Properties of small bimetallic Ni-Cu clusters

      JOURNAL OF PHYSICAL CHEMISTRY A
    56. Bridgeman, AJ; Cavigliasso, G
      Structure and bonding in dinuclear oxoanions of V, Nb, Ta, Mo, and W

      JOURNAL OF PHYSICAL CHEMISTRY A
    57. Lazarou, YG; Prosmitis, AV; Papadimitriou, VC; Papagiannakopoulos, P
      Theoretical calculation of bond dissociation energies and enthalpies of formation for halogenated molecules

      JOURNAL OF PHYSICAL CHEMISTRY A
    58. Wang, XF; Andrews, L
      Precious metal-molecular oxygen complexes: Neon matrix infrared spectra and density functional calculations for M(O-2), M(O-2)(2) (M = Pd, Pt, Ag, Au)

      JOURNAL OF PHYSICAL CHEMISTRY A
    59. Bayse, CA
      Interaction of dihydrogen with gold (I) hydride: Prospects for matrix-isolation studies

      JOURNAL OF PHYSICAL CHEMISTRY A
    60. Magnusson, E
      Acute-angled attachment of cations in main group ion-molecule adducts

      JOURNAL OF PHYSICAL CHEMISTRY A
    61. Citra, A; Andrews, L
      A spectroscopic and theoretical investigation of charge transfer complexesbetween silver and nitric oxide: Infrared spectra and density functional calculations of AgNO+,0,- and Ag-x(NO)(y) clusters (x, y=1, 2) in solid argon and neon

      JOURNAL OF PHYSICAL CHEMISTRY A
    62. Dutta, A; Chattopadhyaya, S; Das, KK
      Ab initio based configuration interaction study of the electronic spectrumof GeS

      JOURNAL OF PHYSICAL CHEMISTRY A
    63. Visentin, T; Kochanski, E; Moszynski, R; Dedieu, A
      Interaction of dichloromethane with the coordination sphere of palladium complexes: Toward a first solvation shell model

      JOURNAL OF PHYSICAL CHEMISTRY A
    64. Wan, J; Fukuda, R; Hada, M; Nakatsuji, H
      Quasi-relativistic study of Hg-199 nuclear magnetic shielding constants ofdimethylmercury, disilylmercury and digermylmercury

      JOURNAL OF PHYSICAL CHEMISTRY A
    65. Timoshkin, AY; Suvorov, AV; Schaefer, HF
      Structural and thermodynamic characteristics of compounds X2MYH2 (M = Al, Ga, In; X = F, Cl, Br. I; Y=N, P, As) formed by hydrogen halide eliminationfrom donor-acceptor complexes X3MYH3

      RUSSIAN JOURNAL OF GENERAL CHEMISTRY
    66. Kole, JS; De Raedt, H
      Quantum Monte Carlo method or attractive Coulomb potentials - art. no. 016704

      PHYSICAL REVIEW E
    67. Roszak, S; Koski, WS; Kaufman, JJ; Balasubramanian, K
      Structures and electron attachment properties of halomethanes (CXnYm, X=H,F; Y=Cl, Br, I; n=0,4; m=4-n)

      SAR AND QSAR IN ENVIRONMENTAL RESEARCH
    68. Zaitsevskii, A; Adamson, SO; Pazyuk, EA; Stolyarov, AV; Nikolayeva, O; Docenko, O; Klincare, I; Auzinsh, M; Tamanis, M; Ferber, R; Cimiraglia, R
      Energy and radiative properties of the low-lying NaRb states - art. no. 052504

      PHYSICAL REVIEW A
    69. Zaitsevskii, A; Ferber, R; Teichteil, C
      Quasirelativistic transition property calculations by the intermediate Hamiltonian method: Electronic transition dipole moments and radiative lifetimes in Te-2 - art. no. 042511

      PHYSICAL REVIEW A
    70. Chu, IK; Shoeib, T; Guo, X; Rodriquez, CF; Lan, TC; Hopkinson, AC; Siu, KWM
      Characterization of the product ions from the collision-induced dissociation of argentinated peptides

      JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
    71. Meng, DQ; Jiang, G; Liu, XY; Luo, DL; Zhang, WX; Zhu, ZH
      Structures and potential energy functions of Pu-3 molecule

      ACTA PHYSICA SINICA
    72. Watanabe, E; Fujiwara, M; Yamaura, J; Kato, R
      Synthesis and properties of novel donor-type metal-dithiolene complexes based on 5,6-dihydro-1,4-dioxine-2,3-dithiol (edo)

      JOURNAL OF MATERIALS CHEMISTRY
    73. Sundermann, A; Uzan, O; Martin, JML
      Computational study of a new Heck reaction mechanism catalyzed by palladium(II/IV) species

      CHEMISTRY-A EUROPEAN JOURNAL
    74. Macsari, I; Szabo, KJ
      Palladium-catalyzed cyclization of allylsilanes with nucleophilic displacement of the silyl group

      CHEMISTRY-A EUROPEAN JOURNAL
    75. Tolis, EJ; Teberekidis, VI; Raptopoulou, CP; Terzis, A; Sigalas, MP; Deligiannakis, Y; Kabanos, TA
      The effect of charged axial ligands on the EPR parameters in oxovanadium(IV) compounds: An unusual reduction of the A(z)(V-51) values

      CHEMISTRY-A EUROPEAN JOURNAL
    76. Engler, C; Hofmann, A
      Reaction paths in concurrence: The electrochemical hydrogen reaction on GaAs(111)A- and GaAs(110)-surfaces A quantumchemical approach

      ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
    77. Ishihara, H; Okajima, T; Horiuchi, K; Svoboda, I; Fuess, H
      Isolated versus condensed anion structure VII: X-ray structure analysis of1,3-propanediammonium dibromodichlorocadmate(II), [H3N(CH2)(3)NH3]CdBr2Cl2, and estimation of stability of five-coordinated halide anions, MX53- (M =Cd, Zn; X = Cl, Br) by means of ab-initio MO calculations

      ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
    78. Schailey, R; Ray, AK
      A cluster approach to hydrogen chemisorption on the GaAs(100) surface

      COMPUTATIONAL MATERIALS SCIENCE
    79. Shalabi, AS; El-Mahdy, AM
      Adsorptivity of atomic H and coadsorptivity of Mg and O ions on regular and irregular surfaces of MgO : DFT calculations

      PHYSICS LETTERS A
    80. Zhang, LN; Shao, LM; Zhou, MF
      Reactions of laser-ablated Y and La atoms with H2O infrared spectra and density functional calculations of the HMO, HMOH and M(OH)(2) molecules in solid argon

      CHEMICAL PHYSICS
    81. Kato, T; Kondo, M; Tachibana, M; Yamabe, T; Yoshizawa, K
      Vibronic interaction in a copper oxide cluster

      CHEMICAL PHYSICS
    82. Ananthavel, SP; Manoharan, M
      A theoretical study on electron donor-acceptor complexes of Et2O, Et2S andMe3N with interhalogens, I-X (X = Cl and Br)

      CHEMICAL PHYSICS
    83. Hratchian, HP; Prendergast, T; Milletti, MC
      Theoretical investigation of substituent effects on the silicon-metal bondfor a series of transition metal-substituted base-stabilized silylene complexes

      POLYHEDRON
    84. Garcia-Raso, A; Fiol, JJ; Badenas, F; Munoz, F
      Bioinorganic chemistry of copper(II) complexes of N-salicylidene-aminoacidato: associative versus dissociative mechanism in the formation of copper ternary complexes with 2-aminopyridine (or pyrimidine). An ab initio study

      POLYHEDRON
    85. Bridgeman, AJ; Cavigliasso, G
      Density-functional investigation of bonding in tetrahedral MO4 anions

      POLYHEDRON
    86. Raab, M; Sundermann, A; Schick, G; Loew, A; Nieger, M; Schoeller, WW; Niecke, E
      (NH)-phosphanylamido- and (PH)-phosphoraneiminato transition-metal complexes: Syntheses, structures, and computational studies

      ORGANOMETALLICS
    87. Sundermann, A; Uzan, O; Martin, JML
      Exclusive C-C activation in the rhodium(I) PCN pincer complex. A computational study

      ORGANOMETALLICS
    88. Sillanpaa, AJ; Laasonen, KE
      Density functional study of a d(2)-C5H5Nb(butadiene)R+ ethene polymerization catalyst

      ORGANOMETALLICS
    89. Matsubara, T
      Density functional study of the mechanism of C equivalent to C, O-H, and N-H bond activation at the Pd=X (X = Sn, Si, C) bonds of the (PH3)(2)Pd=XH2 complexes

      ORGANOMETALLICS
    90. Jensen, KP; Sauer, SPA; Liljefors, T; Norrby, PO
      Theoretical investigation of steric and electronic effects in coenzyme B-12 models

      ORGANOMETALLICS
    91. Ishikawa, M; Teramura, H; Lee, KK; Schneider, W; Naka, A; Kobayashi, H; Yamaguchi, Y; Kikugawa, M; Ohshita, J; Kunai, A; Tang, HQ; Harima, Y; Yamabe, T; Takeuchi, T
      Nanosized, starlike silicon compounds. Synthesis and optical properties oftris[(tert-butyldimethylsilyl)oligothienylenedimethylsilyl]methylsilanes

      ORGANOMETALLICS
    92. Alagona, G; Ghio, C; Lazzaroni, R; Settambolo, R
      Olefin insertion into the rhodium-hydrogen bond as the step determining the regioselectivity of rhodium-catalyzed hydroformylation of vinyl substrates: Comparison between theoretical and experimental results

      ORGANOMETALLICS
    93. Korobkov, I; Gambarotta, S; Yap, GPA; Thompson, L; Hay, PJ
      Dinuclear trivalent and mixed-valence uranium [(-CH2-)(5)](4)-calix[4]tetrapyrrole complexes with short intermetallic distances

      ORGANOMETALLICS
    94. Solin, N; Szabo, KJ
      Mechanism of the eta(3)-eta(1)-eta(3) isomerization in allylpalladium complexes: Solvent coordination, ligand, and substituent effects

      ORGANOMETALLICS
    95. Matsubara, T; Hirao, K
      Density functional study on regioselective hydrolysis of a tryptophan-containing peptide promoted by palladium(II) complexes

      ORGANOMETALLICS
    96. Adams, CS; Legzdins, P; McNeil, WS
      Intermolecular C-H activation of hydrocarbons by tungsten alkylidene complexes: An experimental and computational mechanistic study

      ORGANOMETALLICS
    97. Suresh, CH; Koga, N
      Migration tendencies of group 14 element ligands in the coordination sphere of cationic phosphenium iron complexes

      ORGANOMETALLICS
    98. Lanza, G; Fragala, I; Marks, TJ
      Metal and ancillary ligand structural effects on ethylene insertion processes at cationic group 4 centers. A systematic, comparative quantum chemicalinvestigation at various ab initio levels

      ORGANOMETALLICS
    99. Sakaki, S; Takayama, T; Sugimoto, M
      Platinum(II) hydride silanone complexes and cyclic trimers of silanone. A theoretical study of their geometries, bonding nature, and stabilities

      ORGANOMETALLICS
    100. Sakaki, S; Ohki, T; Takayama, T; Sugimoto, M; Kondo, T; Mitsudo, T
      Participation of (eta(3)-allyl)ruthenium(II) complexes in C-C bond formation and C-C bond cleavage. A theoretical study

      ORGANOMETALLICS


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Documento generato il 26/10/20 alle ore 05:39:16