Results 1 to 10 of about 3,520,625 (273)

Crystal engineering in IUCrJ: from `the' crystal structure to `a' crystal structure [PDF]

IUCrJ, 2021
What is 'structure' in the context of a molecular solid?
Gautam R. Desiraju
doaj   +4 more sources

Predicting the Volumes of Crystals [PDF]

Comput. Mater. Sci. 146, 184-192 (2018), 2017
New crystal structures are frequently derived by performing ionic substitutions on known crystal structures. These derived structures are then used in further experimental analysis, or as the initial guess for structural optimization in electronic structure calculations, both of which usually require a reasonable guess of the lattice parameters.
Chu, Iek-Heng, Han, Daehui, Jain, Anubhav, Ong, Shyue Ping, Roychowdhury, Sayan   +4 more
arxiv   +5 more sources

End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction. [PDF]

Adv Sci (Weinh)
Powder X-ray diffraction (PXRD) is a prevalent technique in materials characterization. While the analysis of PXRD often requires extensive human manual intervention, and most automated method only achieved at coarse-grained level. The more difficult and important task of fine-grained crystal structure prediction from PXRD remains unaddressed.
Lai Q, Xu F, Yao L, Gao Z, Liu S, Wang H, Lu S, He D, Wang L, Zhang L, Wang C, Ke G.   +11 more
europepmc   +2 more sources

Wumuite (KAl_0.33W_2.67O₉) – a new mineral with an HTB-type structure from the Panzhihua–Xichang region in China [PDF]

European Journal of Mineralogy, 2020
Wumuite, ideally KAl0.33W2.67O9, is a new mineral species found in the Neoproterozoic Sinian light-weathered biotite–quartz monzonite in the southern part of the Panzhihua–Xichang region (Nanyang village: 26∘46′8.21′′ N, 101∘27′13.86′′ E ...
Y. Xue, Y. Xue, G. Li, Y. Xie
doaj   +1 more source

Carbon Nanotubes Blended Nematic Liquid Crystal for Display and Electro-Optical Applications

Electronic Materials, 2021
In this paper, we investigate a commercial nematic liquid crystal (LC) mixture namely E7 dispersed with small concentrations of multi-walled carbon nanotubes (MWCNTs).
Bhupendra Pratap Singh, Samiksha Sikarwar, Kamal Kumar Pandey, Rajiv Manohar, Michael Depriester, Dharmendra Pratap Singh   +5 more
doaj   +1 more source

Liguowuite, WO₃, a new member of the A-site vacant perovskite type minerals from the Panzhihua–Xichang region, China [PDF]

European Journal of Mineralogy, 2022
A new member of the non-stoichiometric perovskite group mineral species, liguowuite, ideally WO3, has been found in the Neoproterozoic Sinian biotite-quartz monzonite in the southern part of the Panzhihua–Xichang region (Nanyang village: 26∘46′8.21′′ N ...
Y. Xue, Y. Xue, N. Sun, H. He, H. He, A. Chen, Y. Yang, Y. Yang   +7 more
doaj   +1 more source

Controlling the crystal structure of precisely spaced polyethylene-like polyphosphoesters [PDF]

, 2020
Understanding polymer crystallization is important for polyethylene-like materials. A small fraction of monomers with functional groups within the polyethylene chain can act as crystallization “defects”.
Haider, Tobias, Lieberwirth, Ingo, Mars, Julian, Mezger, Markus, O’Duill, Miriam L., Suraeva, Oksana, Wurm, Frederik R.   +6 more
core   +2 more sources

Crystal structure of pseudoguainolide [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2015
The lactone ring in the title molecule, C15H22O3(systematic name: 3,4a,8-trimethyldodecahydroazuleno[6,5-b]furan-2,5-dione), assumes an envelope conformation with the methine C atom adjacent to the the methine C atom carrying the methyl substituent being the flap atom.
Noureddine Beghidja, David W. Knight, Samir Benayache, Benson M. Kariuki, Fadila Benayache   +4 more
openaire   +5 more sources

Crystal structure of vancomycin [PDF]

Structure, 1996
Vancomycin and other related glycopeptide antibiotics are clinically very important because they often represent the last line of defence against bacteria that have developed resistance to antibiotics. Vancomycin is believed to act by binding nascent cell wall mucopeptides terminating in the sequence D-Ala-D-Ala, weakening the resulting cell wall ...
Schäfer, Martina, Schneider, Thomas R, Sheldrick, George M   +2 more
openaire   +4 more sources

Crystal structure of ruthenocenecarbonitrile [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2015
The molecular structure of ruthenocenecarbonitrile, [Ru(η5-C5H4C[triple-bond]N)(η5-C5H5)], exhibits point group symmetrym, with the mirror plane bisecting the molecule through the C[triple-bond]N substituent. The RuIIatom is slightly shifted from the η5-C5H4centroid towards the C[triple-bond]N substituent.
Strehler, Frank, Korb, Marcus, Lang, Heinrich   +2 more
openaire   +5 more sources