378 items found

Organisations: RISIS2OpenData Tags: Biophysics 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

    On the Nature of the Friction between Nonstick Droplets and Solid Substrates

    The lateral rolling of nonstick water and glycerol droplets deposited on solid substrates inclined at the sliding angles was studied. Droplets deposited on lotuslike...
  • 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

    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

    Nanosized (μ<sub>12</sub>-Pt)Pd<sub>164-</sub><i><sub>x</sub></i>Pt<i><sub>x<...

    Presented herein are the preparation and crystallographic/microanalytical/magnetic/spectroscopic characterization of the Pt-centered four-shell 165-atom Pd−Pt cluster,...
  • 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

    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

    Photoluminescent Layered Lanthanide Silicates

    The hydrothermal synthesis and structural characterization of layered lanthanide silicates, K3[M1-aLnaSi3O8(OH)2] (M = Y3+, Tb3+; Ln = Eu3+, Er3+, Tb3+, and Gd3+), named AV-22...
  • 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

    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

    Nanoporous Amino Acid Derived Material Formed via In-Situ Dimerization of Asp...

    A new mixed-ligand three-dimensional metal−organic framework is reported, where one component, meso-iminodisuccinic acid, is formed in-situ by the dimerization of aspartic acid...
  • dataset

    The Ternary Silicide ZrPd<sub>3</sub>Si<sub>3</sub>, a Stacking Variant of th...

    The ternary zirconium palladium silicide ZrPd3Si3 has been synthesized by arc-melting of the elemental components. It adopts a new structure type and crystallizes in the...
  • dataset

    r37980778c78--5972394c55944f719d1f5c8b780bbdb5

    Reaction of (PNP)Ir(COE)+PF6- (1) (PNP = 2,6-bis(di-tert-butylphosphinomethyl)pyridine; COE = cyclooctene) with benzene yields a stable unsaturated square pyramidal Ir(III)...