Results 271 to 280 of about 49,182 (344)
Some of the next articles are maybe not open access.

A Cubic 3D Covalent Organic Framework with nbo Topology.

Journal of the American Chemical Society, 2021
The synthesis of three-dimensional (3D) covalent organic frameworks (COFs) requires high-connectivity polyhedral building blocks or the controlled alignment of building blocks.
Xue Wang   +10 more
semanticscholar   +1 more source

The Adsorption of Chlorofluoromethane on Pristine, Al‐, Ga‐, P‐, and As‐doped Boron Nitride Nanotubes: A PBC‐DFT, NBO, and QTAIM Study

ChemistrySelect, 2020
The feasibility of detecting a Chlorofluoromethane (CFM) gas molecule on the outer surface of a pristine single-walled boron nitride nanotube as well as Al-, Ga-, P-, and As-doped structures.
M. Doust Mohammadi, H. Abdullah
semanticscholar   +1 more source

Electrical resistivity of NbO

Journal of Solid State Chemistry, 1970
The resistivity of NbOx (0.99 ⩽ x ⩽ 1.03) boules containing 3 to 5 grains is reported for the range 77–900°K. The material is an excellent conductor with a positive temperature coefficient of resistivity. The results are compared with some earlier work, which seems to require correction, and with unpublished work which is confirmed by this study.
G.V. Chandrashekhar   +2 more
openaire   +2 more sources

Fermi surface of NbO

Journal of Low Temperature Physics, 1990
Studies of the dHvA effect have been made on NbO single crystals grown by a zone melting techniques and 13 separate frequency branches ranging from 5.2×106 G to 1.2×108G have been observed. To understand the origin of the dHvA frequencies, we have made a self-consistent band structure calculation.
H. Aoki   +5 more
openaire   +2 more sources

NBO 7.0: New vistas in localized and delocalized chemical bonding theory

Journal of Computational Chemistry, 2019
We briefly outline some leading features of the newest version, NBO 7.0, of the natural bond orbital (NBO) wavefunction analysis program. Major extensions include: (1) a new NPEPA module implementing Karafiloglou's “polyelectron population analysis” in ...
E. Glendening, C. Landis, F. Weinhold
semanticscholar   +1 more source

The effect of vacancies on the electronic structure of Nbo

Journal of Physics and Chemistry of Solids, 1982
Abstract The crystal structure of NbO is considered as a NaCl structure with 25% ordered vacancies in each sublattice. Self-consistent energy band structure calculations using the augmented plane wave (APW) method have been carried out for a hypothetical NbO with the full NaCl structure and for the structure with the vacancies.
Raimund Podloucky   +4 more
openaire   +3 more sources

Tiling of a Nb(110) surface with NbO crystals nanosized by the NbO/Nb misfit

Physical Review B, 2002
The overlayer covering a (110) face of a Nb crystal annealed at 1500--2000 K in UHV has been studied by Auger electron and photoemission spectroscopies, low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM). This layer, which results from the surface segregation of oxygen dissolved in Nb bulk, corresponds to a thin niobium ...
J. Cousty, H. Safa, Imad Arfaoui
openaire   +2 more sources

Vacancy filling effect in thermoelectric NbO

Journal of Physics: Condensed Matter, 2015
Using density functional theory, we have systematically explored the 1a and 1b vacancy filling in NbO (space group Pm-3m) with Nb and N, respectively, to design compounds with large Seebeck coefficients. The most dominating effect was identified for filling of 1b Wyckoff sites with N giving rise to a fivefold increase in the Seebeck coefficient.
Daniel Primetzhofer   +4 more
openaire   +3 more sources

The adsorption of chlorofluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study

, 2020
The feasibility of detecting the chlorofluoromethane (CFM) onto the outer surface of pristine silicon carbide nanotube (SiCNT), as well as its germanium doped structures (SiCGeNT), was carefully evaluated.
M. Mohammadi   +2 more
semanticscholar   +1 more source

ChemInform Abstract: The Luminescence of K2(NbO)2Si4O12.

ChemInform, 1992
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Yves Piffard   +3 more
openaire   +3 more sources

Home - About - Disclaimer - Privacy