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Publikováno v:
Soft Matter; 2/7/2024, Vol. 20 Issue 5, p952-958, 7p
Publikováno v:
Bulletin of Materials Science. 29:107-114
The study of electronic structure of materials and bonding is an important part of material cha - racterization. The maximum entropy method (MEM) is a powerful tool for deriving accurate electron density distribution in crystalline materials using ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dbae89eeffa6f51bfd99e708abe701d9
https://doi.org/10.1007/bf02704601
https://doi.org/10.1007/bf02704601
Autor:
Tsuyoshi Kajitani, R. Saravanan, Kaoru Ohno, Minoru Isshiki, R. K. Rajaram, Yasuhiro Ono, S. Israel
Publikováno v:
Crystal Research and Technology. 41:259-267
The bonding between the atoms in the II-VI compound semiconductors has always been a subject of rigorous research because of their tremendous applications in a variety of fields. The bonding and ionic character in CdTe at 300 and 200 K have been dete
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f568efbc9dce85b6a0059fd84e0562fc
https://doi.org/10.1002/crat.200510571
https://doi.org/10.1002/crat.200510571
Publikováno v:
Acta Crystallographica Section E Structure Reports Online. 62:o410-o413
In the title compound, C12H18N4OS2+·2HSO4−·H2O, the protonated thiamine cation exhibits the frequently observed F conformation with respect to the methylene bridge atom. The value of the torsion angle φ5α formed by the side chain is quite d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b4166ff840fc629c606e68cfdb00f99e
https://doi.org/10.1107/s1600536805041620
https://doi.org/10.1107/s1600536805041620
Publikováno v:
Journal of Raman Spectroscopy. 37:597-605
The infrared (IR) and Raman spectra were recorded at room temperature for L-phenylalanine, L-phenylalaninium dihydrogenphosphate, and DL-phenylalaninium dihydrogenphosphate, and the observed bands were assigned. In the first compound, a phenylalanini
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6acf1220729b555a9a9c7012fc1b9da0
https://doi.org/10.1002/jrs.1485
https://doi.org/10.1002/jrs.1485
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 62:630-636
FT-IR and FT-Raman spectra were recorded and analyzed for l-valine l-valinium perchlorate monohydrate crystals. The wave number assignments have been made for the functional groups, viz. COOH, COO(-), --[NH(3)](+), C--(CH(3))(2), C--C--N and C--H. On
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4dd26dc6cd7f4fb7572185362623e85b
https://doi.org/10.1016/j.saa.2005.02.008
https://doi.org/10.1016/j.saa.2005.02.008
Publikováno v:
Acta Crystallographica Section E Structure Reports Online. 61:m2014-m2017
In the title compound, [Cu6(CH4N2S)14](ClO4)6, the interesting feature of the structure lies in the closely packed Cu–thiourea core, which is a truncated octahedron of two planes and four points at the edges. The octahedron is truncated par
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::493e02332635d767c507fd7f3b51840d
https://doi.org/10.1107/s1600536805028588
https://doi.org/10.1107/s1600536805028588
Autor:
S. Athimoolam, R. K. Rajaram
Publikováno v:
Acta Crystallographica Section E Structure Reports Online. 61:o2764-o2767
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1da1182f433b26b413bfb9c74f9646d7
https://doi.org/10.1107/s1600536805023871
https://doi.org/10.1107/s1600536805023871
Publikováno v:
Physica B: Condensed Matter. 363:166-177
Charge distribution of zinc telluride at RT, 200 and 100 K has been studied using the entropy maximized electron densities evaluated from X-ray structure factors, through maximum entropy method (MEM). Dominant ionic bonding in ZnTe is revealed from t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d49af133abbc142733f1239afdb5ac02
https://doi.org/10.1016/j.physb.2005.03.018
https://doi.org/10.1016/j.physb.2005.03.018