Results 21 to 30 of about 227,988 (252)

Stacking Entropy of Hard Sphere Crystals

, 1998
Classical hard spheres crystallize at equilibrium at high enough density. Crystals made up of stackings of 2-dimensional hexagonal close-packed layers (e.g.
A. D. Bruce, B. A. Berg, B. A. Berg, B. J. Alder, B. J. Alder, B. J. Alder, D. A. Young, D. Frenkel, D. Frenkel, David A. Huse, J. S. Dugdale, L. V. Woodcock, L. V. Woodcock, P. G. Bolhuis, P. N. Pusey, P. N. Pusey, R. J. Speedy, S.-E. Phan, Siun-Chuon Mau   +18 more
core   +1 more source

(2RS)-3-(4-Hydroxyphenyl)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)propanoic acid monohydrate [PDF]

, 2007
The title compound, C₁₇H₁₅NO₄·H₂O, derived from DL-tyrosine crystallizes as an unusual hydrogen-bonded acid-monohydrate dimer. The asymmetric unit contains two organic molecules and two water molecules.
Brady, Fiona, Gallagher, John F.
core   +1 more source

Crystal structure of (μ-N-allylthiourea-κ2S:S)bis[μ-bis(diphenylphosphanyl)methane-κ2P:P′]bis[bromidocopper(I)] acetonitrile disolvate

Acta Crystallographica Section E: Crystallographic Communications, 2015
The reaction of cuprous bromide with a mixture of 1,1-bis(diphenylphosphanyl)methane (dppm: C25H22P2) and N-allylthiourea (ATU: C4H8N2S) in acetonitrile yielded the title solvated dinuclear complex, [Cu2Br2(C4H8N2S)(C25H22P2)2]·2C2H3N or [Cu2Br2(ATU ...
Mareeya Hemman, Chaveng Pakawatchai, Jaursup Boonmak, Sujittra Youngme, Saowanit Saithong   +4 more
doaj   +1 more source

Moir\'e pattern interlayer potentials in van der Waals materials from random-phase approximation calculations

, 2017
Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two dimensional material assemblies where long-range moir\'e patterns arise due to small lattice constant mismatch or ...
Gould, Tim, Jung, Jeil, Lebègue, Sébastien, Leconte, Nicolas   +3 more
core   +1 more source

Stacking-induced fluorescence increase reveals allosteric interactions through DNA [PDF]

, 2018
From gene expression to nanotechnology, understanding and controlling DNA requires a detailed knowledge of its higher order structure and dynamics. Here we take advantage of the environment-sensitive photoisomerization of cyanine dyes to probe local and ...
Lopez, Sergio G., Magennis, Steven W., Morten, Michael J., Rafferty, Aidan, Steinmark, I. Emilie   +4 more
core   +1 more source

Pulling hairpinned polynucleotide chains: Does base-pair stacking interaction matter?

, 2001
Force-induced structural transitions both in relatively random and in designed single-stranded DNA (ssDNA) chains are studied theoretically. At high salt conditions, ssDNA forms compacted hairpin patterns stabilized by base-pairing and base-pair stacking
Haijun Zhou, Moroz J. D., Yang Zhang
core   +1 more source

Crystal structure of 3-(4-methylphenyl)-1-phenyl-5-[(E)-2-phenylethenyl]-1H-pyrazole

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C24H20N2, the dihedral angles between the pyrazole ring and the pendant phenyl, toluoyl and phenylethenyl rings are 41.50 (8), 4.41 (8) and 31.07 (8)°, respectively.
Farook Adam, Sharath Poojary Charishma, Basrur Ramya Prabhu, Seranthimata Samshuddin, Nadiah Ameram   +4 more
doaj   +1 more source

Remarkable effect of stacking on the electronic and optical properties of few layer black phosphorus

, 2015
The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first principles calcula- tions within the framework of density functional ...
Cakir, Deniz, Peeters, Francois M., Sevik, Cem   +2 more
core   +1 more source

4-(4-Chlorophenyl)-1,2,3-selenadiazole

IUCrData, 2018
In the title compound, C8H5ClN2Se, the dihedral angle between the planes of the selenadiazole and chlorophenyl rings is 16.6 (2)°. In the crystal, the packing of the molecules is consolidated by weak C—H...N hydrogen bonds, which generate [001] chains ...
K. Ravichandran, S. Ranjith, S. Sankari, M. Beemarao, M. N. Ponnuswamy   +4 more
doaj   +1 more source

Interlayer electronic hybridization leads to exceptional thickness-dependent vibrational properties in few-layer black phosphorus

, 2015
Stacking two-dimensional (2D) materials into multi-layers or heterostructures, known as van der Waals (vdW) epitaxy, is an essential degree of freedom for tuning their properties on demand.
Hu, Zhi-Xin, Ji, Wei, Kong, Xianghua, Normand, Bruce, Qiao, Jingsi   +4 more
core   +1 more source