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1.
The molecular geometries, relative stabilities, binding energies, and dissociation energies of NaDyBr4 and its molecular ion are discussed. Both the bidentate and tridentate isomers are stable for the neutral species, while
only the bidentate form is stable for NaDyBr4
+.
相似文献
Magdolna Hargittai (Corresponding author)Email: |
2.
Fatemeh Hashemzadeh M. Mehdi Kashani Motlagh Amir Maghsoudipour 《Journal of Sol-Gel Science and Technology》2009,51(2):169-174
In this work, MnO2 nanostructure powders with different crystalline phases have been successfully prepared by hydrothermal and sol–gel methods.
The obtained products were characterized by XRD and SEM techniques and their crystallographic phases and morphological properties
compared. Results showed that α-MnO2, β-MnO2, and δ-MnO2 nanorods were synthesized by hydrothermal method and γ-MnO2 polymorph was obtained by sol–gel method.
相似文献
Amir MaghsoudipourEmail: |
3.
H. P. Zhang L. C. Yang L. J. Fu Q. Cao D. L. Sun Y. P. Wu R. Holze 《Journal of Solid State Electrochemistry》2009,13(10):1521-1527
Recent progress in studies of several types of core-shell structured electrode materials, including TiO2/C, Si/C, Si/SiO
x
, LiCoO2/C, and LiFePO4/C nanocomposites, including details of their preparation and their electrochemical performance is briefly reviewed. Results
clearly show that the coating shell can effectively prevent the aggregation of the nanosized cores, which are the electrochemically
active materials. In addition, the diffusion coefficients of lithium ions can be increased, and the reversibility of lithium
intercalation and deintercalation is improved. As a result, the cycling behavior is greatly improved. The reviewed results
suggest that core-shell nanocomposites are a good starting point for further development of new promising electrode materials.
相似文献
Y. P. WuEmail: |
R. Holze (Corresponding author)Email: |
4.
Attila Sipos Miklós Tóth Franziska K. U. Mueller Jochen Lehmann Sándor Berényi 《Monatshefte für Chemie / Chemical Monthly》2009,140(4):473-478
Abstract The synthesis of 4H-thiochromene derivatives of apomorphines, a novel class of isoquinoline alkaloid-related compounds, has been achieved by
different O-dealkylation methods applied on previously published heteroring-fused aporphinoids. Detailed DFT study has been presented
regarding the mechanism of the L-selectride-mediated multiple O-dealkylation of a seven-ring aporphine analogue. Dopamine-binding tests confirmed the essential function of 11-hydroxy moiety
of the aporphine skeleton and revealed a remarkable D1 over D2 specificity for the derivative having the 4H-thiochromene ring system attached to positions 2 and 3 of the aporphine backbone.
Graphical Abstract
相似文献
Attila SiposEmail: |
5.
Stephen L. R. Ellison 《Accreditation and quality assurance》2006,11(3):146-152
The relationship between calibrated range, residual standard deviation and correlation coefficient r is discussed. It is shown that in typical chemical calibration applications with appropriately distributed calibration points (particularly, with range comparable to mean and with approximately even or with ‘successive dilution’ spacing), the linear correlation coefficient has valid application as a routine criterion for acceptable fit if used with due care.
相似文献
Stephen L. R. EllisonEmail: Phone: +44-20-8943-7325Fax: +44-20-8943-2767 |
6.
Cox Maurice G. Desenfant Michèle Harris Peter M. Siebert Bernd R. L. 《Accreditation and quality assurance》2003,8(12):548-554
Basic concepts and implementations of the model-based approach to uncertainty evaluation are discussed. One implementation is that of the law of propagation of uncertainty with the use of the central limit theorem as recommended in the Guide to the expression of uncertainty in measurement (GUM). Another is the propagation of distributions, the subject of a supplemental guide to the GUM, which is at an advanced stage of development. It falls in the category of other analytical and numerical methods indicated in the GUM. Two testing applications are used to illustrate the principles: tennis-ball rebound and tensile strength.
相似文献
Maurice G. CoxEmail: Phone: +44-20-8943-6096Fax: +44-20-8977-7091 |
7.
8.
The molecular structure and vibrational characteristics of monomeric and dimeric tin diiodide, SnI2 and Sn2I4, were determined by high-level computational methods. For the dimer molecule two low-energy geometries were found, one with
C
s and the other with C
2v symmetry, the former with somewhat lower energy; their relative energy is strongly dependent on the computational method.
Thermodynamic functions for both species and their dimerization reaction were calculated based on the computed structures.
相似文献
Magdolna HargittaiEmail: |
9.
Michael Thompson 《Accreditation and quality assurance》2008,13(8):479-482
The currently recommended design of collaborative trials (interlaboratory method performance studies) is examined in relation
to the usefulness of the resulting statistics. It is suggested that larger experiments, without duplicate analysis, would
be more informative.
相似文献
Michael ThompsonEmail: |
10.
Hinne Hettema 《Foundations of Chemistry》2008,10(2):135-142
Michael Weisberg’s recent 2007 paper on the chemical bond makes the claim that the chemical notion of the covalent bond is
in trouble. This note casts doubts on that claim.
相似文献
Hinne HettemaEmail: |
11.
Nataliya V. Roznyatovskaya Veronika K. Laurinavichute Galina A. Tsirlina Vladimir M. Mirsky 《Journal of Solid State Electrochemistry》2007,11(7):981-992
Various systems containing immobilized binuclear copper(II) and nickel(II) complexes with Robson type ligand ([M2L]Cl2) are studied and compared in relation to catalysis of hydrogen peroxide reduction. Molecular complexes adsorbed on mercury
and gold, crystalline complexes immobilized in the carbon paste electrode, and complex species entrapped into polyphenol-modified
gold electrodes are considered. Electrocatalysis is assumed to result from the formation of H2O2–[M2L]Cl2 adduct, not from mediating redox transformations. Possible geometry of the formed reaction layers supporting adduct formation
is discussed.
相似文献
Nataliya V. RoznyatovskayaEmail: |
12.
Renat R. Nazmutdinov Michael D. Bronshtein Dmitrii V. Glukhov Tamara T. Zinkicheva 《Journal of Solid State Electrochemistry》2008,12(4):445-451
Solvent dynamics effects on the electroreduction of [PtCl3(H2O)]− at a mercury electrode are explored in the framework of Sumi–Marcus model using an efficient computational scheme. According
to results of density functional calculations, the second electron transfer step may be regarded as rate controlling. The
nonmonotonous influence of solvent viscosity on the reaction rate is predicted and explained in terms of the saddle point
avoidance. The results of model calculations are employed to interpret experimental data reported earlier in the literature.
相似文献
Renat R. NazmutdinovEmail: |
13.
Hiroyuki Takeno Shin Nakazato Toshiaki Dobashi Masahiro Nobe Atsumi Wakabayashi 《Colloid and polymer science》2007,285(9):1029-1036
We investigated the self-assembling processes of solutions of poly(vinyl methyl ether) in mixed solvents of 2-butanone and
water with and without zirconium oxide (ZrO2) particles with average size of 75 nm during vaporization of the solvents by means of optical microscopy. The self-assembling
processes can be classified into three regimes: (1) early stage (nucleation and growth regime), (2) intermediate stage (regularly
arranged regime), and (3) late stage (aggregation and coalescence regime). In the intermediate stage, the water droplets,
including the ZrO2 particles, were regularly arranged with an almost constant spacing. The mechanism of the self-assembling processes is discussed
on the basis of experimental results.
相似文献
Hiroyuki TakenoEmail: |
14.
Guy Yardeni Israel Zilbermann Eric Maimon Haim Cohen Dan Meyerstein 《Research on Chemical Intermediates》2009,35(4):543-554
A new CeIII complex was synthesized by mixing the ligand “dioxocyclam” with CeIII ions at pH 8.0 and its redox properties were investigated.
相似文献
Dan Meyerstein (Corresponding author)Email: |
15.
Vaporization enthalpies for the isomeric diazines were discussed within the context of recent measurements and estimation
techniques. It is suggested that pyridazine shows enigmatic behavior.
相似文献
Joel F. Liebman (Corresponding author)Email: |
16.
Edward B. Nikitin Sanjeev K. Dey David A. Lightner 《Monatshefte für Chemie / Chemical Monthly》2009,140(1):97-110
Abstract Six 10-nor-bilirubin analogs have been synthesized and investigated. Lacking the C(10) CH2 group, these linear tetrapyrroles have a bipyrrole core rather than a dipyrrylmethane core and thus a different shape. Whereas
the propionic acid groups of bilirubin are well engaged in intramolecular hydrogen bonding to the dipyrrinones, molecular
modeling studies of the 10-nor-rubins predict that propionic acid chains are too short to engage the CO2H hydrogen fully in intramolecular hydrogen bonding with the dipyrrinones. Butyric acid chains, however, can and do lead to
a stabilized conformation with a bipyrrole dihedral angle of approximately 115°. Spectroscopic studies verify the predictions
and vapor pressure osmometry indicates that the 10-nor-rubins with butyric acids are monomeric in CHCl3.
Graphical abstract
相似文献
David A. LightnerEmail: |
17.
Giuliana Gervasio Domenica Marabello Enrico Sappa Andrea Secco 《Journal of Cluster Science》2008,19(1):63-71
The title complex is the main product of the reaction of Fe3(CO)12 with isopropenylacetylene in basic methanolic solution (followed by acidification); it is obtained upon carbon–carbon bond
forming and dimerization of the alkyne. The same complex is also obtained by reacting Fe3(CO)12 in CH3OH/KOH solution with 2-methyl-hex-1-en-3-yne; carbon–carbon bond cleavage presumably occurs to form isopropenylacetylene,
which then reacts with the iron carbonyl. The unprecedented structure of the complex has been determined with a X-ray diffraction
analysis.
相似文献
Andrea SeccoEmail: |
18.
19.
Yan Gao Sabrina Reischmann Johannes Huber Tobias Hanke Rudolf Bratschitsch Alfred Leitenstorfer Stefan Mecking 《Colloid and polymer science》2008,286(11):1329-1334
Single semiconductor quantum dots were embedded into polymer particles with diameters below 0.1 μm by an emulsion polymerization
procedure or via a secondary dispersion approach. The photoluminescence properties of the nanocrystals are retained upon encapsulation,
as demonstrated by fluorescence confocal microscopy.
相似文献
Stefan MeckingEmail: |
20.
Catherine Marchal-Roch Estelle Ayrault Laurent Lisnard Jérôme Marrot Feng-Xian Liu Francis Sécheresse 《Journal of Cluster Science》2006,17(2):283-290
The trivacant heteropolyanion A-α[PMo9O31(OH2)3]3− spontaneously dimerizes in acetonitrile to form the Dawson complex [P2Mo18O62]6−. A rapid new quantitative preparation of the sodium salt of this Dawson complex is described. In addition, the structure of TBA5[HP2Mo18O62] is given and the featuring data compared with the isomorphous sodium salt (space group C2/c).
相似文献
Catherine Marchal-RochEmail: |