101 items found

Tags: Chemical Sciences not elsewhere classified Space Science keywords.Physical and Theoretical Chemistry

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  • publication

    Confined Polar Mixtures within Cylindrical Nanocavities

    Using molecular dynamics experiments, we have extended our previous analysis of equimolar mixtures of water and acetonitrile confined between silica walls [J. Phys. Chem. B...
  • publication

    Pore Shape Affects Spontaneous Charge Redistribution in Small Pores

    A complete understanding of charge redistribution (spontaneous movement of charge once the system has been placed on open-circuit) in porous materials is desirable because...
  • publication

    Efficient Charge Transport through a Metal Oxide Semiconductor in the Nanocom...

    A nanocomposite film of tungsten trioxide (WO3) and [Ru(bpy)3]2+ (bpy = 2,2‘-bipyridine) (denoted as Ru−WO3) was prepared from an aqueous colloidal triad solution containing...
  • publication

    Photopatternable Silicon Elastomers with Enhanced Mechanical Properties for H...

    Soft lithography has been widely used in stamping and printing processes for microfabrication as a low cost alternative to photolithography. However, conventional...
  • publication

    Porous Carbon Supports Prepared by Ultrasonic Spray Pyrolysis for Direct Meth...

    Carbon powders composed of porous micrometer-sized spheres were synthesized from simple organic salt precursors using ultrasonic spray pyrolysis (USP). These materials were...
  • publication

    Cycloadditions of Aromatic Azomethine Imines with 1,1-Cyclopropane Diesters

    The cycloaddition of aromatic azomethine imines to 1,1-cyclopropane diesters was achieved using Ni(ClO4)2 as catalyst. The methodology gives access to unique tricyclic...
  • publication

    Alkylation of Magnesium Sulfinates:  A Direct Transformation of Functionalize...

    Sulfinate alkylation is one of the conventional methods for sulfone synthesis. The alkylation of magnesium sulfinates, which are easily accessible via reactions of...
  • publication

    Carbon Nanotube Salts. Arylation of Single-Wall Carbon Nanotubes

    Carbon nanotube salts prepared by treating single-wall carbon nanotubes (SWNTs) with lithium in liquid ammonia react readily with aryl iodides to give SWNTs functionalized by...
  • publication

    A Highly Selective Cascade Approach to Diverse Aromatic Ring Systems from Sim...

    A new triethylamine-catalyzed cascade reaction of aromatic aldehydes with propiolates has been developed. This serial multi-bond-forming process furnishes diverse polycyclic...
  • publication

    Stereospecific Deoxygenation of Phosphine Oxides with Retention of Configurat...

    A new protocol for deoxygenation of various phosphine oxides with retention of configuration is described. The advantage of the new method includes milder conditions and...
  • publication

    Direct Construction of 1,3-Diaxial Diol Derivatives by C−H Hydroxylation

    Direct hydroxylation of tertiary C−H bonds for construction of 1,3-diaxial diol derivatives was achieved by devising a new detachable dioxirane precursor containing a...
  • publication

    Kinetic separation of hexane isomers by fixed-bed adsorption with a microporo...

    A three-dimensional microporous metal−organic framework Zn(BDC)(Dabco)0.5 (BDC = 1,4-benzenedicarboxylate, Dabco = 1,4-diazabicyclo [2,2,2]octane), having two types of...
  • publication

    Molecular Spring Washers: Raman Scattering Studies on Tpp J-Aggregates under ...

    High-pressure Raman scattering studies at ambient temperature are performed on Tpp J-aggregates up to 13 GPa. It can be concluded that all the vibrational frequencies upshift...
  • publication

    New Crystalline Layered Zinc Phosphate with 10-Membered-Ring Channels Perpend...

    A novel layered zinc phosphate, [N2C6H12]2[Zn7H3(HPO4−x)5(PO4)3]H2O, with unique 10-membered-ring ellipsoidal channels running perpendicularly to ladder-shaped tetrahedral...
  • publication

    Antiaromaticity in Distal Bisfluorenyl Dications Separated by Multiple Discre...

    The effect of spacers on the antiaromaticity of bisfluorenyl dications was examined. For systems such as 4a−c in which extensive delocalization of the positive charge through...
  • publication

    Divide and Conquer Interaction Energy Decomposition

    The authors present a new energy decomposition scheme, which decomposes interaction energies into electrostatic, polarization, and charge transfer contributions. The method is...
  • publication

    E−H Bond Activation Reactions (E = H, C, Si, Ge) at Ruthenium: Terminal Phosp...

    The placement of a strongly trans-influencing ligand on a ruthenium center opposite an anchoring silyl group of the tetradentate tripodal tris(phosphino)silyl ligand, [SiPPh3]−...
  • publication

    Synthesis of New 14-Membered Macrolide Antibiotics via a Novel Ring Contracti...

    A novel ring opening ring closing metathesis (ROM-RCM) was demonstrated for cyclic conjugated dienes, effecting the excision of a C2H2 unit and a net ring contraction. Applying...
  • publication

    Resonance Raman Study of Short-Time Photodissociation Dynamics of the Charge-...

    Resonance Raman spectra were obtained for nitrobenzene in cyclohexane solution with excitation wavelengths in resonance with the charge-transfer (CT) band absorption spectrum....
  • publication

    Synthesis of the NK1 Receptor Antagonist GW597599. Part 2: Development of a S...

    GW597599 1 is a novel NK-1 antagonist currently under investigation for the treatment of CNS disorders and emesis. The initial chemical development synthetic route, derived from...