Zobrazeno 1 - 10
of 49
pro vyhledávání: '"Lubomir Smrcok"'
Autor:
Miroslav Koóš, Bohumil Steiner, Júlia Mičová, Vratislav Langer, Marián Ďurík, Dalma Gyepesová, Ľubomír Smrčok
Publikováno v:
Molecules, Vol 5, Iss 10, Pp 1113-1120 (2000)
The structure of methyl 4-amino-4-cyano-4,6-dideoxy-2,3-O-isopropylidene-α-Ltalopyranoside was established by X-ray analysis confirming a talo configuration at C-4 and suggesting a 1C4 conformation of the pyranose ring. The values of relevant torsio
Externí odkaz:
https://doaj.org/article/2ce8ce438f424292b40a22c14b5a1eaf
Publikováno v:
Crystal Growth & Design
Crystal Growth & Design, American Chemical Society, 2020, 20 (6), pp.3867-3881. ⟨10.1021/acs.cgd.0c00166⟩
Crystal Growth & Design, American Chemical Society, 2020, 20 (6), pp.3867-3881. ⟨10.1021/acs.cgd.0c00166⟩
Heating of K2ZrF6 room temperature monoclinic Form I reveals a complex polymorphism investigated by synchrotron powder temperature-dependent diffraction. The first thermal event at 240 °C correspon...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::05dc346d96ad638af6f227a8241cc2ee
https://hal.archives-ouvertes.fr/hal-03464331
https://hal.archives-ouvertes.fr/hal-03464331
Autor:
Lubomir Smrcok, A. Le Bail
Publikováno v:
Powder Diffraction. 30:130-138
The structure of Cs2AlF5 obtained by thermal dehydration of Cs2AlF5•H2O is determined ab initio from powder diffraction data, space group Pmn21, a = 6.36216 (17) Å, b = 12.7523 (4) Å, c = 11.4102 (3) Å, and Z = 6. Contrarily to most A2MF5 compou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::345ee57af2e2f734fa4d6d5390a299d8
https://doi.org/10.1017/s0885715614001444
https://doi.org/10.1017/s0885715614001444
Publikováno v:
Physics and Chemistry of Minerals. 39:779-787
Inelastic neutron scattering (INS) was used to study the vibrational dynamics of the hydrogen atoms in natural trioctahedral phlogopite, K0.93Na0.03(Mg2.47Fe0.22Al0.16Fe0.04Tl0.06)[Si2.84Al1.16]O10OH1.71F0.28Cl0.01, within the 50–1,000 cm−1 energ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::135ee6f94cd1c773ccd71f267a973ffe
https://doi.org/10.1007/s00269-012-0532-x
https://doi.org/10.1007/s00269-012-0532-x
Autor:
Lubomir Smrcok, A. Le Bail
Publikováno v:
Powder Diffraction. 26:321-325
The structure of 3,4-diaminopyridin-1-ium dihydrogen phosphate, [C5H3(NH)(NH2)2]+ (H2PO4)−, is solved from conventional X-ray powder diffraction data in direct space (monoclinic unit cell with a = 16.0725(9) Å, b = 7.7301(3) Å, c = 14.6189(9) Å,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e116059829ea0dee9970b8b0d34ce298
https://doi.org/10.1154/1.3660160
https://doi.org/10.1154/1.3660160
Publikováno v:
American Mineralogist. 96:301-307
Inelastic neutron scattering (INS) was used to study dynamics of the hydrogen atoms in natural 2M1 muscovite in the 150-1200 cm-1 energy range. The resultant INS spectra are interpreted by means of solid state density functional theory calculations c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4ba5d1299f547c4e8a49fca46351407
https://doi.org/10.2138/am.2011.3618
https://doi.org/10.2138/am.2011.3618
Publikováno v:
Crystal Research and Technology. 45:1025-1031
A partially corroded fragment of the neck guard of a Roman cavalry helmet excavated in the former military camp of Gerulata, a part of the Limes Romanus on the River Danube, was analysed by laboratory X-ray, synchrotron and neutron powder diffraction
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::840c2c6b820a3b9b25ed130fcc3e9c8d
https://doi.org/10.1002/crat.201000419
https://doi.org/10.1002/crat.201000419
Publikováno v:
Crystal Research and Technology. 44:978-984
The crystal structure of NH4VO3 was refined by the geometry optimization done by total energy minimization in solid state using DFT/plane waves approach. The lattice parameters were derived by the Le Bail technique from the low temperature X-ray (40-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::caede3573374a07db742d7244d3c03e2
https://doi.org/10.1002/crat.200900339
https://doi.org/10.1002/crat.200900339
Publikováno v:
Zeitschrift für Kristallographie. 222:555-565
Geometry of hydrogen bonds in 2-amino-3-hydroxymethyl-1,3-propane diol (TRIS) was accurately determined by single crystal TOF neutron diffraction at 30 K, 100 K and 170 K. The structure of TRIS can be formally described as a structure formed by layer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5bf742ca7fc29c0fbf1c65eb9455332b
https://doi.org/10.1524/zkri.2007.222.10.555
https://doi.org/10.1524/zkri.2007.222.10.555
Publikováno v:
Open Chemistry. 5:55-70
Geometries of 27 generated conformers of levoglucosan were optimized in vacuo at DFT level of theory combining several functionals with high quality basis sets. For the sake of comparison a reference molecular and crystal geometry obtained from 30 K
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b7d8e184a81b56aef71ef5225fcf0690
https://doi.org/10.2478/s11532-006-0058-5
https://doi.org/10.2478/s11532-006-0058-5