Zobrazeno 1 - 10
of 84
pro vyhledávání: '"Adam Gryff-Keller"'
Publikováno v:
The Journal of Physical Chemistry A. 122:7832-7841
1H NMR and 13C NMR chemical shifts as well as conformation dependent vicinal 1H–1H spin–spin coupling constants for cinchonidine in a dilute C6D12 solution have been measured. These data have been ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f7340b5fa16171929c20e2265160cad9
https://doi.org/10.1021/acs.jpca.8b06722
https://doi.org/10.1021/acs.jpca.8b06722
Autor:
Sergey Molchanov, Adam Gryff-Keller
Publikováno v:
The Journal of Physical Chemistry A. 121:9645-9653
The study concerns N-methyl-2-pyrrolidinone, N,N-dimethylformamide, 2-pyrrolidinone, N-methylformamide, and formamide in DMSO-d6 and CDCl3 solutions. It has been shown that the results of DFT calculations [B3LYP and/or PBE0 6-311++G(2d,p), PCM] of mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c9b04491c0bd65576cc9010b73c0e162
https://doi.org/10.1021/acs.jpca.7b10110
https://doi.org/10.1021/acs.jpca.7b10110
Publikováno v:
The Journal of Physical Chemistry A. 121:1841-1848
1H NMR and 13C NMR spectra of uracil, thymine, 5-hydroxymethyluracil, 5,6-dihydrouracil, and 5,6-dihydrothymine in DMSO-d6 solutions have been measured. Additionally, molecular structures as well as NMR parameters of these compounds and their various
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c23f63612a0452e2368cf20b6272834e
https://doi.org/10.1021/acs.jpca.7b00144
https://doi.org/10.1021/acs.jpca.7b00144
Publikováno v:
The journal of physical chemistry. A. 122(39)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0dd0b111c15b8c5d3ad9298fb62bbbab
https://pubmed.ncbi.nlm.nih.gov/30240224
https://pubmed.ncbi.nlm.nih.gov/30240224
Publikováno v:
RSC Advances. 6:82783-82792
The values of the indirect nuclear spin–spin coupling constants for a series of aliphatic fluorocompounds have been calculated using DFT-based methods and compared with the experimental values of these parameters. The set of the molecular objects c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8377fa98082ac4a7812958a4a685b889
https://doi.org/10.1039/c6ra15343g
https://doi.org/10.1039/c6ra15343g
Publikováno v:
Journal of Molecular Structure. 1091:222-227
The molecular structures of 2,2′-difluoro-6,6′-dimethylbiphenyl, 4,5-difluoro-9,10-dihydrophenanthrene and of their η 6 -tricarbonylchromium complexes have been discussed in the light of the results of molecular energy calculations. Also the iso
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b163b523a29620ee5056da0afe8e8fc3
https://doi.org/10.1016/j.molstruc.2015.02.081
https://doi.org/10.1016/j.molstruc.2015.02.081
Autor:
Adam Gryff-Keller, Dominika Kubica
Publikováno v:
The Journal of Physical Chemistry B. 119:5832-5838
Orotic acid, a biologically important compound, can exist in aqueous solutions in several ionic and tautomeric forms. Interpretation of the experimental (13)C NMR chemical shifts of this compound based on the results of energy and magnetic shielding
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::755264b5b204bed08b30e77eaa70efcb
https://doi.org/10.1021/acs.jpcb.5b02410
https://doi.org/10.1021/acs.jpcb.5b02410
Autor:
Maciej Dranka, Jakub Jurkowski, Przemysław Szczeciński, Adam Gryff-Keller, Andrzej Kozioł, Antoni Pietrzykowski, Agata Włodarska
Publikováno v:
Organometallics. 34:577-581
Reaction of 1,3-diallylimidazolium bromide with 1,1′-dimethylnickelocene (NiCp′2) afforded [NiCp′(all2-NHC)]+Br– (1a) (all2-NHC = 1,3-diallylimidazol-2-ylidene) and NiCp′(all2-NHC)Br (1b), while the reaction of 1,3-diallylimidazolium chlori
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3ea824418d56f1a82aa60353fc4ded6
https://doi.org/10.1021/om500939s
https://doi.org/10.1021/om500939s
Publikováno v:
The Journal of Physical Chemistry A. 119:517-524
The longitudinal relaxation times of (13)C nuclei and NOE enhancement factors for 2-bromopyridine (1), 6-bromo-9-methylpurine (2), 3,5-dibromopyridine (3), 2,4-dibromopyrimidine (4), and 2,4,6-tribromopyrimidine (5) have been measured at 25 °C and B
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10ada83e8363dd48201c543e34fd69b9
https://doi.org/10.1021/jp510687x
https://doi.org/10.1021/jp510687x
Publikováno v:
The Journal of Physical Chemistry A. 118:2995-3003
Continuing studies based on measurements of the nuclear spin relaxation rates running via the SC2 mechanism (scalar relaxation of the second kind), we present in this work the results obtained for three bromo compounds: CBrCl3, (CH3)3CBr, and CBr4. A
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c968e210677f6e457234eab382977469
https://doi.org/10.1021/jp501064c
https://doi.org/10.1021/jp501064c