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排序方式: 共有307条查询结果,搜索用时 20 毫秒
41.
Weissmüller J Viswanath RN Kibler LA Kolb DM 《Physical chemistry chemical physics : PCCP》2011,13(6):2114-2117
Theory links the reactivity of metal surfaces to the interatomic spacing and, hence, to the tangential strain. We point out that this proposition can be experimentally verified by exploiting a seemingly unrelated phenomenon, the mechanical deformation of solid bodies when charged in an electrolyte. Such experiments allow the strength of coupling between adsorption enthalpy and strain to be quantified. For hydrogen adsorption on Pd, the result agrees with ab initio computation and with trends that can be inferred from experiment on pseudomorphic layers strained by epitaxy with misfitting substrates. The data suggest that experimentally accessible strain values afford a variation of the adatom concentration by several orders of magnitude and a significant shift of the reaction along the 'volcano curve' of reactivity versus adsorption strength. 相似文献
42.
Spinel systems with the composition of Cu1−xZnxCr2O4 [x = 0 CCr, x = 0.25 CZCr-1, x = 0.5 CZCr-2, x = 0.75 CZCr-3 and x = 1 ZCr] were prepared by homogeneous co-precipitation
method and were characterized by X-ray diffraction (XRD) and FT-IR spectroscopy. Elemental analysis was done by EDX, and surface
area measurements by the BET method. The redox behavior of these catalysts in cyclohexane oxidation at 243 K using TBHP as
oxidant was examined. Cyclohexanone was the major product over all catalysts with some cyclohexanol. 69.2% selectivity to
cyclohexanol and cyclohexanone at 23% conversion of cyclohexane was realized over zinc chromite spinels in 10 h. 相似文献
43.
44.
We prove the existence of a Lie bracket on the space of 1-formson a Poisson manifold. This gives rise to a calculus of skewsymmetriccontravariant tensors dual to Cartan's calculus of forms. 相似文献
45.
Prem K. Mehrotra Jayaraman Chandrasekhar Periakaruppan T. Manoharan Sankaran Subramanian 《Chemical physics letters》1979,68(1):219-221
The nonempirical NDDO MO method in its unrestricted form has been used to evaluate isotropic hyperfine coupling constants and nuclear spin-spin coupling constants. Satisfactory agreement with INDO and experimental results is obtained. 相似文献
46.
A K Sood K Sankaran Y Hariharan S Vijayalakshmi V Sankara Sastry S Kalavathi J Janaki 《Pramana》1988,31(5):389-397
We report infrared absorption of Y1Ba2Cu3O7−δ
as a function of oxygen stoichiometry (0<δ<1) and copper substitution by iron in the spectral range of 450–700 cm−1. The strong bands associated with Cu-O vibrations undergo significant changes in their frequencies and intensities asδ is varied across the orthorhombic to tetragonal phase. These changes coupled with those arising as a result of doping with
iron has helped in identifying the nature of the vibrational modes. 相似文献
47.
48.
Jayaraman Chandrasekhar Prem K. Mehrotra Sankaran Subramanian Periyakaruppan T. Manoharan 《Theoretical chemistry accounts》1979,52(4):303-310
Three valence-only schemes based on the Roby version of NDDO MO theory, which differ only in the core-valence treatment and the choice of the basis set, have been applied to the study of molecules containing first-row atoms. Orbital energies, charge distribution, dipole moments, field gradients, and a few other one-electron molecular properties are calculated to satisfactory accuracy. The schemes appear unreliable in the prediction of barriers to internal rotation in molecules, presumably due to errors in the core contribution to the total energy. An alternative treatment is suggested. 相似文献
49.
50.
Morita K Sankaran NB Huang W Seino T Sato Y Nishizawa S Teramae N 《Chemical communications (Cambridge, England)》2006,(22):2376-2378
An abasic site-containing DNA combined with lumiflavin allows amperometric determination of single nucleotide polymorphism through hydrogen bond-mediated nucleobase recognition in water by using abasic sites as a molecular recognition field. 相似文献