314 Result(s)
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Article
Book reviews
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Article
Crystal structure of α-cyanoacrylic acid
An x-ray structural investigation of α-cyanoacrylic acid has been carried out (R=0.058 on the basis of 767 reflections). The molecules in the crystal are joined by strong O−H...N hydrogen bonds in zigzag chain...
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Article
Theoretical study of the potential-energy surface of C2NP
The B3LYP/6-311G(d) and CCSD(T)/6-311G(2df) (single-point) methods have been used to investigate the singlet potential energy surface of C2NP, in which seven stationary isomers and seventeen interconversion tran...
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Article
Theoretical study on structures and stability of HC2P isomers
The structures and isomerization pathways of various HC2P isomers in both singlet and triplet states are investigated at the B3LYP/6-311G(d,p), QCISD/6-311G(d,p) (for isomers only) and single-point CCSD(T)/6-311...
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Chapter
Molecular Participants in Voltage-Dependent Gating
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Article
Ionic liquid-alkane association in dilute solutions
Enthalpies and entropies of transfer were measured by gas chromatography for dilute solutions of a homologous series of eight even n-alkanes (from octane to docosane) into six different ionic liquids (ILs) (namel...
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Article
Theoretical study on the potential energy surface of NC3P isomers
Density functional theory (DFT) calculations have been used to study the isomerization process in the NC3P system. At the DFT/B3LYP/6-311G(d) level, 28 triplet and 28 singlet minima were obtained on their respect...
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Article
Theoretical study on the mechanism of OH + HCNO reaction
A detailed mechanistic study of the OH + HCNO reaction, in which the products P i with i=1, 2, . . . ,7 are involved, is carried out by means of CCSD(T)...
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Article
Theoretical study on the potential energy surface of NC3P isomers
Density functional theory (DFT) calculations have been used to study the isomerization process in the NC3P system. At the DFT/B3LYP/6-311G(d) level, 28 triplet and 28 singlet minima were obtained on their respect...
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Article
The Si-doped planar tetracoordinate carbon (ptC) unit CAl3Si− could be used as a building block or inorganic ligand during cluster-assembly
Currently, the molecular assembly and growth from a small building block to the bulk compounds have become a focus in various fields. Ever being chemical curiosities, the “anti-van’t Hoff/Le Bel” realm that is...
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Article
Open AccessControlled nanocutting of graphene
Rapid progress in graphene-based applications is calling for new processing techniques for creating graphene components with different shapes, sizes, and edge structures. Here we report a controlled cutting pr...
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Article
Open AccessAu-Ag alloy nanoporous nanotubes
Metallic nanostructures with hollow interiors or tailored porosity represent a special class of attractive materials with intriguing chemicophysical properties. This paper presents the fabrication of a new typ...
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Article
Open AccessRole of catalysts in the surface synthesis of single-walled carbon nanotubes
We demonstrate the role of catalysts in the surface growth of single-walled carbon nanotubes (SWNTs) by reviewing recent progress in the surface synthesis of SWNTs. Three effects of catalysts on surface synthe...
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Article
A potential energy surface survey of OB6: global minima and isomerization stability
In light of the very recent significant discrepancies on the global isomer of the sept-atomic molecule OB6, we performed a detailed potential energy surface survey of OB6 covering various isomeric forms. We showe...
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Article
Open AccessDirect observation of the strong interaction between carbon nanotubes and quartz substrate
We present a chemical vapor deposition (CVD) method for the growth of uniform single-walled carbon nanotube (SWNT) arrays on a stable temperature (ST)-cut single crystal quartz substrate using a mixture of met...
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Article
Hydrothermal synthesis and crystal structure of [Zn(pytpy)2][NO3]2·2H2O
The title compound, [Zn(pytpy)2][NO3]2·2H2O (pytpy = 4′-(4-pyridyl)-2,2′: 6′,2″-terpyridine), has been synthesized by the reaction of Zn(NO3)2·6H2O with pytpy, and its crystal structure was determined by single-c...
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Article
Open AccessAligned graphene nanoribbons and crossbars from unzipped carbon nanotubes
Aligned graphene nanoribbon (GNR) arrays have been made by unzip** of aligned single-walled and few-walled carbon nanotube (CNT) arrays. Nanotube unzip** was achieved by a polymer-protected Ar plasma etchi...
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Article
Open AccessHierarchical silver indium tungsten oxide mesocrystals with morphology-, pressure-, and temperature-dependent luminescence properties
Highly hierarchical structures of silver indium tungsten oxide (AgIn(WO4)2) mesocrystals can be rationally fabricated via the microwave-assisted synthesis method by tuning the initial concentrations of the precur...
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Article
Open AccessEfficient synthesis of PbTe nanoparticle networks
The synthesis of semiconductor nanocrystalline networks using weak cap** ligands in aqueous media has been demonstrated. Carbohydrates, including ?-cyclodextrin, D-(+)-glucose, D-glucosamine, lactobionic acid, ...
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Article
The effects of the introduction of Al atom into monoclinic BiVO4: a theoretical prediction
Using density functional theory calculation within the CASTEP code, we investigated the possible various kinds of defects in the Al: mBiVO4 crystals. On the one hand, the substitution of V site with Al(subAl-V) w...
