Results 281 to 290 of about 49,182 (344)

An Ultimate Investigation on the Adsorption of Amantadine on Pristine and Decorated Fullerenes C59X (X=Si, Ge, B, Al, Ga, N, P, and As): A DFT, NBO, and QTAIM Study

Journal of Computational Biophysics and Chemistry, 2020
In this investigation, the feasibility of detecting the amantadine (AMD) molecule onto the outer surface of pristine fullerene (C[Formula: see text]), as well as C[Formula: see text]X ([Formula: see text], Ge, B, Al, Ga, N, P, and As) decorated ...
M. Mohammadi, Idris H. Salih, H. Abdullah   +2 more
semanticscholar   +1 more source

Superconductivity in the TiO and NbO systems

Journal of Low Temperature Physics, 1972
This paper presents electrical resistivity and superconductivity studies for the B1 (NaCl) structure oxides of titanium, vanadium, and niobium. In samples of nominal composition TiO x , VO x , and NbO x ,x was varied from 0.8 to 1.2.
C. K. Jones, R. A. Hein, J. W. Gibson, John K. Hulm   +3 more
openaire   +2 more sources

Electrical properties of NbO and NbO2

Journal of Physics and Chemistry of Solids, 1969
Abstract The thermoelectric power and electrical conductivity were measured for NbO and NbO2 as functions of temperature at the limiting oxygen activities for the thermodynamic stability of each of the compounds. The electrical properties of NbO2 were essentially independent of oxygen pressure in the temperature range 50–1000°C, and the properties of
James A. Roberson, Robert A. Rapp
openaire   +2 more sources

The electronic structure of NbO: Theory and experiment

Solid State Communications, 1978
Abstract Experimental photoelectric- and X-ray emission spectra obtained from NbO are compared with the molecular orbital calculations of NbO 6 10− cluster using X α discrete variational method. The agreement between theory and experiment establishes the validity of the cluster approach to determine the electronic structure of the 4 d ...
V.A. Gubanov, M. Erbudak, E.Z. Kurmaev
openaire   +2 more sources

Immobilization of N-oxide functionality into NbO-type MOFs for significantly enhanced C2H2/CH4 and CO2/CH4 separations.

Dalton Transactions, 2020
NbO-type MOFs built up from linear diisophthalate ligands and dicopper paddlewheel-based secondary building units offer an excellent platform to perform pore surface chemistry engineering and understand the structure-property relationship.
Tingting Xu, Lihui Fan, Zhenzhen Jiang, P. Zhou, Ziruo Li, Huangyan Lu, Yabing He   +6 more
semanticscholar   +1 more source

Spectroscopy of NbO: Characterization of the Doublet Manifold

Journal of Molecular Spectroscopy, 1997
Doublet bands of NbO in the near infrared region have been observed in emission with FTS techniques using an electrodeless 2450 MHz discharge as a source. Transitions involving the vibrational levels v = 0-4 of a low-lying a2Delta state of configuration sigma2delta and four additional doublet states (c2Pi, d2Deltai, e2Phi, and f2Pii) have been recorded
O. Launila, Bernd Schimmelpfennig, A.G. Taklif, Odd Gropen, Ulf Wahlgren, Hilde Fagerli   +5 more
openaire   +3 more sources

The effects of the Newborn Behavioral Observations (NBO) system in early intervention: A multisite randomized controlled trial.

Infant Mental Health Journal, 2020
The purpose of this pilot study was to evaluate the effect of an infant mental health intervention, the Newborn Behavioral Observations system (NBO), versus usual care (UC) on infant neurodevelopment and maternal depressive symptoms in early intervention
B. McManus, Y. Blanchard, N. Murphy, J. Nugent   +3 more
semanticscholar   +1 more source

Plasma resonance in TiO, VO and NbO

Journal of Solid State Chemistry, 1970
Reflectance spectra of TiO, VO, and NbO have been recorded. All these oxides show reflectance minima due to plasma edges. The energy corresponding to the reflectance minimum in TiO varies with stoichiometry (in the homogeneity range) and this phenomenon has been related to the transport properties of these oxides.
J. M. Honig, C. N. R. Rao, W.E. Wahnsiedler   +2 more
openaire   +2 more sources

Sintered NbO Powders for Electronic Device Applications

The Journal of Physical Chemistry C, 2011
Wide band gap niobium oxides are particularly important for electronic device applications. Two types of NbO powders were sintered between 300 and 1100 °C. The structural characterization of the pellets, performed by X-ray diffraction measurements and Raman spectroscopy, revealed the appearance of the NbO and T-, B-, and H-Nb2O5 polymorphs, depending ...
Nico, C., Soares, M.R.N., Rodrigues, J., Matos, M., Monteiro, R., Graça, M.P.F., Valente, M.A., Costa, F.M., Monteiro, T.   +8 more
openaire   +3 more sources

Boranil and Related NBO Dyes: Insights From Theory

Journal of Chemical Theory and Computation, 2013
The simulations of excited-state properties, that is, the 0-0 energies and vibronic shapes, of a large panel of fluorophores presenting a NBO atomic sequence have been achieved with a Time-Dependent Density Functional Theory (TD-DFT) approach. We have combined eight hybrid exchange-correlation functionals (B3LYP, PBE0, M06, BMK, M06-2X, CAM-B3LYP ...
Denis Jacquemin, Denis Jacquemin, Siwar Chibani, Boris Le Guennic, Azzam Charaf-Eddin   +4 more
openaire   +5 more sources