There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Single-layer metal dichalcogenides are two-dimensional semiconductors that present strong potential for electronic and sensing applications complementary to that of graphene.

/pdf/electronics-and-optoelectronics-of-two-dimensional-2jbqr1unvw.pdf

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.

Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

Phd by thesis

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

介绍了Kirk—Othmer Encyclopedia of Chemical Technology（化工技术百科全书）（第五版）电子图书网络版数据库，并对该数据库使用方法和检索途径作出了说明，且结合实例简单地介绍了该数据库的检索方法。

Kirk-Othmer Encyclopedia of Chemical Technology数据库介绍及实例

The mononuclear complexes [M(CO)5(MeSeCH2SMe)](M = Cr, Mo, or W) have been prepared and are present in solution as isomers with both S → M and Se → M bonding. In addition to the facile pyramidal atomic inversion of the metal-co-ordinated sulphur and selenium atoms, a novel 1,3-metal shift between the two different ligand atoms occurs. From static and dynamic n.m.r. studies the relative populations of sulphur- and selenium-bonded species have been obtained, along with the activation energy for both S → Se and Se → S metal shifts Energy profiles for these 1,3-shifts reveal the distinction in ground-state energies between the sulphur- and selenium-bonded isomers and essentially quantify the difference in bond energy between the S → M and Se → M bonds; such values are not otherwise easily accessible.

Heteronuclear 1,3-Intramolecular Metal Shifts in Pentacarbonyl-chromium, -molybdenum, and -tungsten Derivatives of 2-Thia-4-selenapentane. A Dynamic Nuclear Magnetic Resonance Investigation.

Membrane facilitated defluoridation of water: process intensification and scale up

Dinuclear Complexes of Gold(I) Containing Bridging Cyclometalated Arylphosphine or Arylarsine Ligands.

Friedel-Crafts alkylation of nitrogen heterocycles, such as indoles and pyrroles, can be carried out in ionic liquids under mild conditions to afford the corresponding alkylated product in moderate to good yields

Friedel—Crafts Alkylation of Nitrogen Heterocycles Using [Bmim][OTf] as a Catalyst and Reaction Medium.

Elektrisch abgelagerte goldnanostrukturen

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