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Publikováno v:
CJEM. 20:S99-S100
Introduction: Lower gastrointestinal bleeding (LGIB) can result in serious adverse events, including recurrent bleeding, need for intervention and death. Endoscopy is important in the management of LGIB, however gastroenterologists have limited resou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::91e668e497050304d74dd5c5d1af7512
https://doi.org/10.1017/cem.2018.319
https://doi.org/10.1017/cem.2018.319
Publikováno v:
Chemical Physics Letters. 418:148-151
Conformational analysis of 2,2′-dinitrobiphenyl (DNBP) performed at the B3LYP/6-31G level of theory has shown that the most stable form in vacuo is the conformer with the torsional angle of ϕ = 81.6°. The theoretical simulations and the experimen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c1cee7a8f74142f3164b30e21083e74
https://doi.org/10.1016/j.cplett.2005.10.102
https://doi.org/10.1016/j.cplett.2005.10.102
Publikováno v:
Journal of Membrane Science. 252:195-203
This paper investigates the influence of molecular size and hydrophobicity of dissolved organic compounds in aqueous solution on retention. In a first part, the influence of hydrophobicity was investigated for organic molecules with a similar molecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62a15573854d4845d4b643626667f5bc
https://doi.org/10.1016/j.memsci.2004.12.017
https://doi.org/10.1016/j.memsci.2004.12.017
Autor:
R. A. Schoonheydt, Robin H. A. Ras, G. Maes, Cliff T. Johnston, F. C. De Schryver, Elias I. Franses, R. Ramaekers, P. Foubert
Publikováno v:
Langmuir. 19:4295-4302
Hybrid clay-organic monolayers prepared using the Langmuir−Blodgett (LB) method are examined by polarized infrared attenuated total reflection spectroscopy (ATR), polarized grazing angle infrared reflection absorption spectroscopy (IRRAS), and atom
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e2207090a3018a56de04322a2cfcf7f
https://doi.org/10.1021/la026786r
https://doi.org/10.1021/la026786r
Publikováno v:
Journal of Molecular Structure. 649:61-68
Relations between selected experimentally observed matrix isolation FT-IR and/or DFT(B3LYP)/6-31++G** predicted parameters are investigated for a series of 1:1 water complexes of pyridine and imidazole derivatives. Regular correlations are observed f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e4ba8c02a1f060885389761013fddee6
https://doi.org/10.1016/s0022-2860(03)00028-0
https://doi.org/10.1016/s0022-2860(03)00028-0
Publikováno v:
The European Physical Journal D. 20:375-388
An experimental and theoretical RHF, MP2 and DFT/6-31++G** study is described of the matrix FT-IR spectra of monomer 2-aminopurine and H-bonded complexes of 2-aminopurine with water. 2-aminopurine occurs in Ar predominantly as the amino-N9H tautomer,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0f43ce5eedc3534198bc7ae5cee4c7fe
https://doi.org/10.1140/epjd/e2002-00160-9
https://doi.org/10.1140/epjd/e2002-00160-9
Publikováno v:
Journal of Molecular Structure. 560:205-221
The neutral compound hypoxanthine is investigated using the technique of matrix-isolation FT-IR spectroscopy combined with density functional theory (DFT) and ab initio methods. Two theoretical methods (RHF and DFT/B3-LYP) are compared for vibrationa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e05a2090be961d515fe7b47e3b8b37b8
https://doi.org/10.1016/s0022-2860(00)00733-x
https://doi.org/10.1016/s0022-2860(00)00733-x
Publikováno v:
Chemical Physics Letters. 331:553-560
DFT/B3-LYP(6-31++G**) calculations are used to provide information on closed N – H ⋯ O H -bonded complexes, containing two hydrogen bonds. The studied model systems with two H-bonds are the 2-pyridone dimer, 2-pyridone–H2O and 2-pyridone–CH3O
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::558aca9659207cacce57f4651f7dfa8a
https://doi.org/10.1016/s0009-2614(00)01038-1
https://doi.org/10.1016/s0009-2614(00)01038-1
Publikováno v:
The Journal of Physical Chemistry A. 103:11020-11025
The H-bond interaction of the cytosine model compound 2-hydroxypyridine and its tautomer 2-oxopyridine with HCl is investigated using the combined matrix-isolation FT-IR and theoretical density fun...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d38815b5e38fc327980a4a97aec35aec
https://doi.org/10.1021/jp9916900
https://doi.org/10.1021/jp9916900