461 items found

Organisations: RISIS2OpenData Tags: Biochemistry Computational Biology Environmental Sciences not elsewhere classified

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  • dataset

    r37980778c78--77decee5d844927dd218e6ce40954484

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...
  • dataset

    Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes

    Deprotonation of terminal alkynes is effected by the treatment with tBu3P and B(C6F5)3 to give [tBu3PH][PhCCB(C6F5)3] (1a) and [tBu3PH][RCCB(C6F5)3] (R = nBu 2, tBu 3, Me3Si 4,...
  • dataset

    r37980778c78--b2cfb20019ab04cb333f9d105aa2e84d

    Molecular Charge-Transfer Salt of BEDT−TTF [Bis(ethylenedithio)tetrathiafulvalene] with the Oxalate-Bridged Dimeric Anion [Fe2(C2O4)5]4-
  • dataset

    α-Po Nets of Copper(II)-<i>trans</i>-1,4-Cyclohexanedicarboxylate Frameworks ...

    Two novel three-dimensional frameworks Cu2(CDC)2(4,4‘-Bipy)·0.5H2CDC·1.25H2O (1) and Cu4(CDC)4(4,4‘-Bpe) (2) (CDC = trans-1,4-cyclohexanedicarboxylate; 4,4‘-Bipy =...
  • dataset

    Combination Chemistry of Hexa-Copper-Substituted Polyoxometalates Driven by t...

    Reaction of CuCl2·2H2O and trivacant Keggin polyoxoanion Na9[A-α-PW9O34]·7H2O in the presence of ethylene-diamine/1,2-diaminopropane (en/enMe) under hydrothermal conditions led...
  • dataset

    Requirement for an Oxidant in Pd/Cu Co-Catalyzed Terminal Alkyne Homocoupling...

    Palladium-catalyzed terminal alkyne dimerization, through oxidative homocoupling, is a useful approach to the synthesis of symmetrical 1,4-diynes. Recent investigations have...
  • dataset

    Synthesis, Structure, and Isomerization of Decapentynylcorannulene:  Enediyne...

    Decapentynylcorannulene (5) is prepared via aryl−alkyne coupling chemistry of decachlorocorannulene and trimethylstannylpentyne. The crystal structure of 5 is compared with the...
  • dataset

    r37980778c78--6aa49dd0ac4cda71eae14d5dde9106fc

    A new layered aluminophosphate, [C6N3H17][Al2(HPO4)(PO4)2] (denoted AlPO−CJ21), has been prepared in an alcoholic system by the use of N-(2-aminoethyl)-piperazine (AEPP) as the...
  • dataset

    Direct Catalytic Asymmetric Vinylogous Mannich-Type and Michael Reactions of ...

    Direct Catalytic Asymmetric Vinylogous Mannich-Type and Michael Reactions of an α,β-Unsaturated γ-Butyrolactam under Dinuclear Nickel Catalysis
  • dataset

    Experimental and Chemical Kinetic Modeling Study of 3-Pentanone Oxidation

    Shock tube ignition delay times have been measured for 3-pentanone at a reflected shock pressure of 1 atm (±2%), in the temperature range 1250−1850 K, at equivalence ratios of...
  • dataset

    r37980778c78--cb93bf378e256de6af0e26fd4b2fa9a0

    Recent studies have demonstrated that the r-tctct isomer of ethylpyrogall[6]arene (6EPGR) can be readily isolated as a minor product of the synthesis of the corresponding...
  • dataset

    r37980778c78--bc5ecf0542338cb165e42220969b7425

    A robust, noncatenated, and permanently microporous metal−organic framework (MOF) material has been synthesized by combining a new nonplanar ligand,...
  • dataset

    Structure and Magnetism of a Spin Ladder System:  (C<sub>5</sub>H<sub>9</sub>...

    The crystal structure of bis(cyclopentylammonium)tetrabromocuprate(II) has been determined at room temperature and at −70 °C. The room temperature structure is orthorhombic,...
  • dataset

    New <i>C</i><sub>1</sub>-Symmetric Ph<sub>2</sub>C-Bridged Multisubstituted <...

    The synthesis of multisubstituted diphenylmethylene-bridged fluorenyl−cyclopentadienyl proligands Ph2C(3,6-tBu2FluH)(3-R1-5-R2C5H3) (Flu = fluorenyl; R1 = tert-butyl, R2 = H...
  • dataset

    Metal−Ligand Cooperation in C−H and H<sub>2</sub> Activation by an Electron-R...

    Unusual reactions are reported, in which the aromatic PNP ligand (PNP = 2,6-bis-(di-tert-butylphosphinomethyl)pyridine) acts in concert with the metal in the activation of H2...
  • dataset

    Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or N...

    Metathesis reactions between LaI3(THF)4 and either 2 equiv of [(Me3Si)2{Me2(Me2N)Si}C]K or 1 equiv of {(Me3Si)(Me2MeOSi)C(SiMe2CH2)}2K2 in THF yield the heteroleptic lanthanum...
  • dataset

    r37980778c78--545011d4dd4486c56f37a2898bd5d021

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...
  • dataset

    Hydrocarbon Activation via Reversible 1,2-RH-Elimination from (<sup>t</sup>Bu...

    Hydrocarbyl complexes, (tBu3SiNH)3ZrR (1-R), were prepared via metatheses of (tBu3SiNH)3ZrCl (1-Cl) with RMgX or RLi (R = Me, Et, Cy, CH2Ph, allyl, CHCH2, Ph, CH2tBu, C⋮CPh,...
  • dataset

    Role of the Ancillary Ligand <i>N</i>,<i>N</i>-Dimethylaminoethanol in the Se...

    Two types of dimeric complexes [Ln2(hfa)6(μ2-O(CH2)2NHMe2)2] and [Ln(thd)2(μ2,η2-O(CH2)2NMe2)]2 (Ln = YIII, EuIII, GdIII, TbIII, TmIII, LuIII; hfa- = hexafluoroacetylacetonato,...
  • dataset

    Metalloradical-Catalyzed Aliphatic Carbon−Carbon Activation of Cyclooctane

    Metalloradical-Catalyzed Aliphatic Carbon−Carbon Activation of Cyclooctane