Zobrazeno 1 - 10
of 131
pro vyhledávání: '"R Note"'
Autor:
Aila Mae B. Socuaji, Kimberly Ashley R. Note, Ella Grace G. Remetio, Rica Jane V. Tolete, Critchimae Allen Vallan, Mark Chris M. Lapuz
Publikováno v:
2022 2nd International Conference in Information and Computing Research (iCORE).
Autor:
K. Kamishima, R. Note, T. Imakubo, K. Watanabe, H.A. Katori, A. Fujimori, M. Sakai, K.V. Kamenev
Publikováno v:
Journal of Alloys and Compounds. 589:37-41
We performed neutron diffraction study of Sc–In alloy which indicates that the ordered magnetic moment in this material is intrinsically tiny. This tiny magnetic moment (0.04–0.05 μB/Sc) is not caused by the uncompensated antiferromagnetic order
Publikováno v:
Chemistry & Biodiversity. 6:2107-2114
Hepatotoxicity is a major cause of pharmaceutical drug attrition and is also a concern within other chemical industries. In silico approaches to the prediction of hepatotoxicity are an important tool in the early identification of adverse effects in
Publikováno v:
Journal of Physical Organic Chemistry. 21:789-796
This paper presents theoretical predictions for the excess polarizabilities upon excitation from the ground state to the first dipole-allowed excited state (11Bu) of some conjugated oligomers. The excess polarizability was obtained by simulating the
Publikováno v:
International Journal of Quantum Chemistry. 107:2006-2014
This paper discusses the excess polarizabilities upon excitation from the ground state to the first dipole-allowed excited state (S1) of diphenylpolyenes by using the time-dependent density functional theory. Two hybrid exchange-correlation (xc) pote
Publikováno v:
Physica E: Low-dimensional Systems and Nanostructures. 25:643-646
We report the electronic transport property of molecular wires by an ab inito molecular orbital theory on the basis of the first-principle density functional theory (DFT) and the non-equilibrium Green's function (NEGF) formalism. The wires consist of
Publikováno v:
Chinese Physics Letters. 21:1247-1250
We use density functional theory and the Green function formalism with charge energy effect included in the self-consistent calculation of the I–V characteristics of a single benzene ring with an appendage of cf3, and identify some interesting prop
Publikováno v:
Physics Letters A. 326:412-416
We have calculated the electron transport properties of molecule wires by an ab initio molecule orbital theory on the basis of the first-principles density functional theory (DFT) and the non-equilibrium Green function (NEGF) technique. The wires are
Publikováno v:
Applied Physics A: Materials Science & Processing. 74:s1061-s1065
After the observation of a shape-memory phenomenon of a Heusler-type single crystal, Ni2.18Mn0.82Ga alloy, we carried out powder neutron diffraction of this alloy by changing the temperature. Rietveld analysis of the diffraction patterns revealed tha
Publikováno v:
Journal of Alloys and Compounds. :406-410
The precise magnetization measurement under ambient pressure has been made for Co 2 TiGa using a SQUID magnetometer. The spontaneous magnetization σ s (T) at ambient pressure is expressed empirically as a function of temperature as σ s (T) 2 =σ s