Results 131 to 140 of about 1,164,097 (304)
A Pb2+‐doping method is demonstrated to be a universal strategy to realize near‐unity photoluminescence quantum yield and high water‐resistance stability for a family of blue‐emitting zero‐dimensional Zn2+‐based halides through increasing the exciton binding energy and carrier density.
Zhi‐Wei Chen+8 more
wiley +1 more source
Effect of disorder outside the CuO$_{2}$ planes on $T_{c}$ of copper oxide superconductors [PDF]
The effect of disorder on the superconducting transition temperature $T_{c}$ of cuprate superconductors is examined. Disorder is introduced into the cation sites in the plane adjacent to the CuO$_{2}$ planes of two single-layer systems, Bi$_{2.0}$Sr$_{1 ...
Eisaki, H.+4 more
core +1 more source
Crystal structures and Hirshfeld surface analysis of a series of 4-O-arylperfluoropyridines [PDF]
Five new crystal structures of perfluoropyridine substituted in the 4-position with phenoxy, 4-bromophenoxy, naphthalen-2-yloxy, 6-bromonaphthalen-2-yloxy, and 4,4′-biphenoxy are reported, viz. 2,3,5,6-tetrafluoro-4-phenoxypyridine, C11H5F4NO (I), 4-(4-bromophenoxy)-2,3,5,6-tetrafluoropyridine, C11H4BrF4NO (II), 2,3,5,6-tetrafluoro-4-[(naphthalen-2-yl ...
Andrew J. Peloquin+4 more
openaire +3 more sources
An ingenious design strategy is developed to construct high‐contrast time‐dependent phosphorescence color (TDPC) materials ranging from red to blue‐green via a facile molecular aggregation regulation strategy. PyC‐KGM with excellent TDPC performance, decent rheological properties, and environmental friendliness has been successfully applied to screen ...
Ping Wu+8 more
wiley +1 more source
Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development
Atomic partial charges appear in the Coulomb term of many force-field models and can be derived from electronic structure calculations with a myriad of atoms-in-molecules (AIM) methods.
Farnaz Heidar-Zadeh+7 more
core +2 more sources
Structural systematics of aryl-1,3-dithiane derivatives: crystal and energy-minimised structures, and Hirshfeld surface analysis [PDF]
The crystal structure analysis of three aryl-1,3-dithiane derivatives, with aryl=4-methylphenyl (1), 4-chlorophenyl (2) and 2,4-dichlorophenyl (3), shows the three molecules to have very similar conformations, with the aryl ring lying on an approximate ...
Gozhina, Olga+4 more
core +1 more source
The title CuII complex, [Cu(C13H11N2OS2)2], features a trans-N2S2 donor set as a result of the CuII atom being located on a crystallographic centre of inversion and being coordinated by thiolate-S and imine-N atoms derived from two dithiocarbazate anions.
Enis Nadia Md Yusof+4 more
doaj +1 more source
Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline N-oxide dihydrate [PDF]
In the crystal structure of 6-methoxyquinoline N-oxide dihydrate, C10H9NO2 center dot 2H(2)O, (I), the presence of two-dimensional water networks is analysed.
Hernandez, Geraldine+3 more
core +1 more source
Solid State Self‐Assembly of an Extended Curved‐Arm Nickel(II) Macrocycle with Fullerene C60
Three co‐crystalline structures that contain fullerene C60 and (5,14‐dihydro‐6,8,15,17‐tetrabenzyl‐2,3,11,12‐tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecine)nickel(II) show the formation discrete one‐dimensional hollow channels as a results of 1 : 1 interplay and 1 : 2 dimeric interplay with the fullerenes arranged in hexagonal arrays ...
Irene Ling+4 more
wiley +1 more source
The bicyclic imidazo[1,2-a]pyridine core of the title compound, C19H19N3, is relatively planar with an r.m.s. deviation of 0.040 Å. The phenyl ring is inclined to the mean plane of the imidazo[1,2-a]pyridine unit by 18.2 (1)°.
Zahira Tber+7 more
doaj +1 more source