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    1. Liaw, SS
      Parameter space of one-parameter complex mappings

      CHAOS SOLITONS & FRACTALS
    2. Drakopoulos, V
      Schroder iteration functions associated with a one-parameter family of biquadratic polynomials

      CHAOS SOLITONS & FRACTALS
    3. Briane, M
      Homogenization of a class of non-uniformly elliptic monotonic operators

      NONLINEAR ANALYSIS-THEORY METHODS & APPLICATIONS
    4. Bai, TX; Maerten, L; Gross, MR; Aydin, A
      Orthogonal cross joints: do they imply a regional stress rotation?

      JOURNAL OF STRUCTURAL GEOLOGY
    5. Aguiar, M
      Infinitesimal Hopf algebras and the cd-index of polytopes

      DISCRETE & COMPUTATIONAL GEOMETRY
    6. Crauser, A; Ferragina, P
      A theoretical and experimental study on the construction of suffix arrays in external memory

      ALGORITHMICA
    7. Lorentzen, L
      On the convergence of limit periodic continued fractions K(a(n)/1) where a(n)->-1/4. Part IV

      CONSTRUCTIVE APPROXIMATION
    8. Brass, P
      On the nonexistence of Hausdorff-like metrics for fuzzy sets

      PATTERN RECOGNITION LETTERS
    9. Li, DF; Cheng, CT
      New similarity measures of intuitionistic fuzzy sets and application to pattern recognitions

      PATTERN RECOGNITION LETTERS
    10. Shimano, K
      A class of Hamilton-Jacobi equations with unbounded coefficients in Hilbert spaces

      APPLIED MATHEMATICS AND OPTIMIZATION
    11. Boutreau, L; Tortajada, J; Luna, A; Alcami, M; Mo, O; Yanez, M
      Perturbation of the intramolecular hydrogen bonds of glucose by Cu+ association

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    12. Bemporad, A; Morari, M; Dua, V; Pistikopoulos, EN
      The explicit linear quadratic regulator for constrained systems

      AUTOMATICA
    13. Chaurand, P; DaGue, BB; Pearsall, RS; Threadgill, DW; Caprioli, RM
      Profiling proteins from azoxymethane-induced colon tumors at the molecularlevel by matrix-assisted laser desorption/ionization mass spectrometry

      PROTEOMICS
    14. Pedrycz, W
      Fuzzy systems and data mining

      LECTURES ON SOFT COMPUTING AND FUZZY LOGIC
    15. Pawlak, Z
      Rough sets and their applications

      COMPUTATIONAL INTELLIGENCE IN THEORY AND PRACTICE
    16. Pedrycz, W
      Granular computing in fuzzy modeling and data mining

      COMPUTATIONAL INTELLIGENCE IN THEORY AND PRACTICE
    17. 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
    18. Bureau, C; Doneux, C; Charlier, J; Anthoine, JL; Chong, DP
      Ring hydrolysis in the electro-oxidation of pyrrolidone analogues

      JOURNAL OF ELECTROANALYTICAL CHEMISTRY
    19. Niu, XZ; Qiu, JJ; Lang, ZG; Tana
      Theoretical and experimental investigation on Hopf bifurcation of generator set

      ELECTRIC POWER COMPONENTS AND SYSTEMS
    20. Kubicki, JD
      Interpretation of vibrational spectra using molecular orbital theory calculations

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    21. Leclair, SF; Bridge, JS
      Quantitative interpretation of sedimentary structures formed by river dunes

      JOURNAL OF SEDIMENTARY RESEARCH
    22. Sigurdsson, S; Stromberg, R
      Evaluation of several economical computational methods for geometry optimisation of phosphorus acid derivatives

      NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS
    23. Deubel, DV; Sundermeyer, J; Frenking, G
      In search of catalytically active species in the surfactant-mediated biphasic alkene epoxidation with Mimoun-type complexes

      ORGANIC LETTERS
    24. Moss, RA; Zheng, FM; Krogh-Jespersen, K
      Rearrangement kinetics of spiropentylchlorocarbene, [3]triangulylchlorocarbene, and related species

      ORGANIC LETTERS
    25. Rovira, C; Novoa, JJ
      A first-principles computation of the low-energy polymorphic forms of the acetic acid crystal. A test of the atom-atom force field predictions

      JOURNAL OF PHYSICAL CHEMISTRY B
    26. Sierka, M; Sauer, J
      Proton mobility in chabazite, faujasite, and ZSM-5 zeolite catalysts, comparison based on ab initio calculations

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

      JOURNAL OF PHYSICAL CHEMISTRY B
    28. Ayala, R; Marcos, ES; Diaz-Moreno, S; Sole, VA; Munoz-Paez, A
      Geometry and hydration structure of Pt(II) square planar complexes [Pt(H2O)(4)](2+) and [PtCl4](2-) as studied by X-ray absorption spectroscopies andquantum-mechanical computations

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

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

      JOURNAL OF PHYSICAL CHEMISTRY B
    31. Dura-Vila, V; Gale, JD
      A first principles study of palladium clusters in gmelinite and their interaction with CO

      JOURNAL OF PHYSICAL CHEMISTRY B
    32. Russo, N; Toscano, M; Grand, A
      Lithium affinity for DNA and RNA nucleobases. The role of theoretical information in the elucidation of the mass spectrometry data

      JOURNAL OF PHYSICAL CHEMISTRY B
    33. Best, RB; Jackson, GE; Naidoo, KJ
      Molecular dynamics and NMR study of the alpha(1 -> 4) and alpha(1 -> 6) glycosidic linkages: Maltose and isomaltose

      JOURNAL OF PHYSICAL CHEMISTRY B
    34. Kawatsu, T; Kakitani, T; Yamato, T
      Worm model for electron tunneling in proteins: Consolidation of the pathway model and the Dutton plot

      JOURNAL OF PHYSICAL CHEMISTRY B
    35. Steckel, JA; Phung, T; Jordan, KD; Nachtigall, P
      Concerted use of slab and cluster models in an ab initio study of hydrogendesorption from the Si(100) surface

      JOURNAL OF PHYSICAL CHEMISTRY B
    36. Pettersen, D; Amedjkouh, M; Lill, SON; Dahlen, K; Ahlberg, P
      Kinetic and computational studies of the composition and structure of activated complexes in the asymmetric deprotonation of cyclohexene oxide by a norephedrine-derived chiral lithium amide

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    37. Schmittel, M; Steffen, JP; Maywald, M; Engels, B; Helten, H; Musch, P
      Ring size effects in the C-2-C-6 biradical cyclisation of enyne-allenes and the relevance for neocarzinostatin

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    38. Boman, P; Eliasson, B; Grimm, RA; Staley, SW
      Bond shift and charge transfer dynamics in methylene- and dimethylsilyl-bridged dicyclooctatetraene dianions

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    39. Dua, S; Bowie, JH
      A novel anion rearrangement. The conversion of [CC(O)(CN)](-) to [NCCCO](-) in the gas phase: a joint experimental and theoretical study

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    40. Cross, W; Hawkes, GE; Kroemer, RT; Liedl, KR; Loerting, T; Nasser, R; Pritchard, RG; Steele, M; Watkinson, M; Whiting, A
      The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    41. Blockhuys, F; Hinchley, SL; Robertson, HE; Blake, AJ; McNab, H; Despinoy, XLM; Harris, SG; Rankin, DWH
      Pyrrolizin-3-one and its 1,2-dihydro derivative: structures of the free molecules determined by electron diffraction and ab initio calculations and in the crystal by X-ray diffraction

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    42. Alifantes, J; Lapis, AAM; Martins, JED; Costa, VEU
      On the mechanism of skeletal rearrangements in the acid catalysed acetylation of isodrin

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    43. Lill, SON; Pettersen, D; Amedjkouh, M; Ahlberg, P
      2-(lithiomethyl)-1-methylimidazole as a non-reactive bulk base and its novel mixed dimer with a chiral lithium amide in catalytic stereoselective deprotonation

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1
    44. Andrews, PC; Armstrong, DR; Raston, CL; Roberts, BA; Skelton, BW; White, AH
      Alkali metal and magnesium enamides from metallation of the alkyl ligands [(2-Pyr)(SiMe3)CH2] and [6-Me-(2-Pyr)(SiMe3)CH2]: a solid state and ab initio study

      JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
    45. Armstrong, DR; Clegg, W; Mulvey, RE; Rowlings, RB
      Synthesis and crystal structure of the new heteroleptic magnesium bis(amide) [{Mg[mu-N(H)Ph][N(SiMe3)(2)]center dot THF}(2)], and density functional MO calculations on model systems

      JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
    46. 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
    47. Xia, J; Li, SA; Shi, YB; Yu, KB; Tang, WX
      Elucidation of the mechanism of carboxy ester cleavage promoted by a Cu(II) alkoxide complex of a tripodal ligand (N3OX)

      JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
    48. Tattershall, BW; Sandham, EL
      Interdependence of phosphorus-31-selenium-77 NMR coupling constants in bicyclic phosphorus selenide compounds

      JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
    49. D'Anna, B; Langer, S; Ljungstrom, E; Nielsen, CJ; Ullerstam, M
      Rate coefficients and Arrhenius parameters for the reaction of the NO3 radical with acetaldehyde and acetaldehyde-1d

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    50. Cao, ZX; Peyerimhoff, SD
      Electronic spectra of linear isoelectronic species HC6H+, C6H, HC5N+

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    51. 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
    52. Kohn, A; Weigend, F; Ahlrichs, R
      Theoretical study on clusters of magnesium

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    53. Ohrn, A; Christiansen, O
      Electronic excitation energies of pyrimidine studied using coupled clusterresponse theory

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    54. Shoeib, T; Rodriquez, CF; Siu, KWM; Hopkinson, AC
      A comparison of copper(I) and silver(I) complexes of glycine, diglycine and triglycine

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    55. Leonard, C; Chambaud, G; Rosmus, P; Carter, S; Handy, NC
      The selective population of the vibrational levels of thioformaldehyde

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    56. Kalvoda, S; Paulus, B; Dolg, M; Stoll, H; Werner, HJ
      Electron correlation effects on structural and cohesive properties of closo-hydroborate dianions (BnHn)(2-) (n=5-12) and B4H4

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    57. Soldan, P; Lee, EPF; Wright, TG
      Static dipole polarizabilities (alpha) and static second hyperpolarizabilities (gamma) of the rare gas atoms (He-Rn)

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    58. Tulej, M; Guthe, F; Pachkov, MV; Tikhomirov, K; Xu, R; Jungen, M; Maier, JP
      Feshbach states of the propadienylidene anion H2CCC-

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    59. Silhan, M; Nachtigallova, D; Nachtigall, P
      Characterization of Ag+ sites in ZSM-5: A combined quantum mechanics/interatomic potential function study

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    60. Gwaltney, SR; Head-Gordon, M
      Calculating the equilibrium structure of the BNB molecule: Real vs. artifactual symmetry breaking

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    61. Jurecka, P; Nachtigall, P; Hobza, P
      RI-MP2 calculations with extended basis sets - a promising tool for study of H-bonded and stacked DNA base pairs

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    62. Puzzarini, C; Cazzoli, G; Dore, L; Gambi, A
      Molecular structure of cis-1-chloro-2-fluoroethylene from ab initio calculations and microwave spectroscopy

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    63. Reva, ID; Ilieva, SV; Fausto, R
      Conformational isomerism in methyl cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital study

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    64. Beckers, H; Burger, H; Paplewski, P; Bogey, M; Demaison, J; Drean, P; Walters, A; Breidung, J; Thiel, W
      Millimeter-wave spectroscopy, high resolution infrared spectrum, ab initiocalculations, and molecular geometry of FPO

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    65. Toniolo, A; Granucci, G; Inglese, S; Persico, M
      Theoretical study of the photodissociation dynamics of ClOOCl

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    66. Burda, JV; Sponer, J; Leszczynski, J
      The influence of square planar platinum complexes on DNA base pairing. An ab initio DFT study

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    67. 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
    68. Schreiber, M; Buss, V; Fulscher, MP
      The electronic spectra of symmetric cyanine dyes: A CASPT2 study

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    69. Lin, H; He, SG; Wang, XG; Yuan, LF; Burger, H; D'Eu, JF; Reuter, N; Thiel, W
      The vibrational overtones of SiH4 isotopomers: experimental wavenumbers, assignment, ab initio dipole moment surfaces and intensities

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    70. Auer, AA; Gauss, J
      Equilibrium structure and fundamental frequencies of allene

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    71. Davey, JB; Legon, AC
      Rotational spectroscopy of the gas phase complex of water and bromine monochloride in the microwave region: Geometry, binding strength and charge transfer

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    72. Hocquet, A
      Intramolecular hydrogen bonding in 2 '-deoxyribonucleosides: an AIM topological study of the electronic density

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    73. Lamarche, O; Platts, JA; Hersey, A
      Theoretical prediction of the polarity/polarizability parameter pi(H)(2)

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    74. Cronstrand, P; Christiansen, O; Norman, P; Agren, H
      Ab initio modeling of excited state absorption of polyenes

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    75. Juselus, J; Sundholm, D
      The aromaticity and antiaromaticity of dehydroannulenes

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    76. Botschwina, P; Stoll, H
      The hydrogen-bonded cluster anions Br-center dot center dot center dot HCCH and I-center dot center dot center dot HCCH: results of coupled cluster calculations

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    77. Cook, PA; Ashfold, MNR; Jee, YJ; Jung, KH; Harich, S; Yang, XM
      Vacuum ultraviolet photochemistry of methane, silane and germane

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    78. Zink, R; Tekautz, G; Kleewein, A; Hassler, K
      Gauche, ortho, transoid and anti conformations of the tetrasilanes SiMe3SiX2SiX2SiMe3 (X = H, F, Cl, Br, I): A computational and vibrational spectroscopic study

      CHEMPHYSCHEM
    79. Naumkin, FY
      Binding in the Ar-I-2(X-1 Sigma(+)(g)) complex: A challenge for theory andexperiment

      CHEMPHYSCHEM
    80. Rocha, LM
      TalkMine: A soft computing approach to adaptive knowledge recommendation

      SOFT COMPUTING AGENTS
    81. Roychowdhury, S
      An inquiry into the theory of defuzzification

      GRANULAR COMPUTING: AN EMERGING PARADIGM
    82. Bailon, A; Blanco, A; Delgado, M; Fajardo, W
      A coding method to handle linguistic variables

      GRANULAR COMPUTING: AN EMERGING PARADIGM
    83. Tsumoto, S
      Induction of rules about complications with the use of rough sets

      GRANULAR COMPUTING: AN EMERGING PARADIGM
    84. Pedrycz, W
      Granular computing in data mining

      DATA MINING AND COMPUTATIONAL INTELLIGENCE
    85. Ben Yabia, S; Jaoua, A
      Discovering knowledge from fuzzy concept lattice

      DATA MINING AND COMPUTATIONAL INTELLIGENCE
    86. Paulsen, H; Grunsteudel, H; Meyer-Klaucke, W; Gerdan, M; Grunsteudel, HF; Chumakov, AI; Ruffer, R; Winkler, H; Toftlund, H; Trautwein, AX
      The spin-crossover complex [Fe(tpa)(NCS)(2)] - Investigated by synchrotron-radiation based spectroscopies

      EUROPEAN PHYSICAL JOURNAL B
    87. Calzado, CJ; Malrieu, JP
      Ab initio determination of an extended Heisenberg Hamiltonian in CuO2 layers

      EUROPEAN PHYSICAL JOURNAL B
    88. 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
    89. 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
    90. Deubel, DV; Sundermeyer, J; Frenking, G
      Olefin epoxidation with transition metal eta(2)-peroxo complexes: The control of reactivity

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    91. Strohmann, C; Ulbrich, O; Auer, D
      Crystal structures and Si-29 NMR calculations of amino-functionalized silyllithium compounds

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    92. Fox, T; Burger, P
      Photochemically induced silicon-carbon bond cleavage in a dimethylsilyl-bridged dicyclopentadienyl diruthenium complex

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    93. Schoeller, W; Rozhenko, AB
      On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    94. Uhl, W; Breher, F; Mbonimana, A; Gauss, J; Haase, D; Lutzen, A; Saak, W
      New carbaalanes - (AlMe)(8)(CCH2Me)(5)(C=C-Me) and the THF adduct (AlMe)(8)(CCH2Me)(5)H center dot 2THF

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    95. 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
    96. Bonchio, M; Bortolini, O; Conte, V; Moro, S
      Characterization and reactivity of triperoxo vanadium complexes in protic solvents

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    97. 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
    98. Buhl, M; Terstegen, F; Loffler, F; Meynhardt, B; Kierse, S; Muller, M; Nather, C; Luning, U
      On the mechanism and stereoselectivity of the copper(I)-catalyzed cyclopropanation of olefins - A combined experimental and density functional study

      EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    99. Hess, BA
      Do bicyclic forms of m- and p-benzyne exist?

      EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    100. Brown, SP; Schaller, T; Seelbach, UP; Koziol, F; Ochsenfeld, C; Klarner, FG; Spiess, HW
      Structure and dynamics of the host-guest complex of a molecular tweezer: Coupling synthesis, solid-state NMR, and quantum-chemical calculations

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION


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Documento generato il 21/10/20 alle ore 06:06:10