Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Haunani M. Thomas"'
Autor:
Petr Klein, Jiri Dedecek, Haunani M. Thomas, Sarah R. Whittleton, Jiri Klimes, Jiri Brus, Libor Kobera, David L. Bryce, Stepan Sklenak
Publikováno v:
The Journal of Physical Chemistry C. 126:10686-10702
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32459de4212394f29efa431250b96250
https://doi.org/10.1021/acs.jpcc.2c02496
https://doi.org/10.1021/acs.jpcc.2c02496
Autor:
Kinga Mlekodaj, Robert Karcz, Veronika Pashkova, Petr Klein, Petr Sazama, Stepan Sklenak, Anna V. Fishchuk, Martina Urbanova, Jiri Dedecek, Edyta Tabor, Haunani M. Thomas, Sarah R. Whittleton
Publikováno v:
The Journal of Physical Chemistry C. 123:7968-7987
SSZ-13 is a Si-rich (Si/Al > 5) small pore zeolite (chabazite topology) important for both acid and redox catalysis. Using a sample with Si/Al = 12, a new procedure involving 27Al (3Q) MAS NMR spectroscopy and extensive periodic DFT calculations with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ae020396d788c935f21843d8b301f8c
https://doi.org/10.1021/acs.jpcc.8b07343
https://doi.org/10.1021/acs.jpcc.8b07343
Autor:
Lindsey T. Ellis, Julia M. Maddalena, Carol A. Deakyne, Harshita Kumari, Haunani M. Thomas, John E. Adams, Collin M. Mayhan
Publikováno v:
Supramolecular Chemistry. 30:520-532
The C-alkylpyrogallol[4]arene macrocycles are known to form self-assembled dimeric and hexameric nanocapsules. Several conformations of alkyl-substituted pyrogallol[4]arenes have been found to be t...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::81581963934dc26551587124cbc9cf52
https://doi.org/10.1080/10610278.2018.1433831
https://doi.org/10.1080/10610278.2018.1433831
Autor:
Haunani M. Thomas, Libor Kobera, Petr Klein, Jiri Dedecek, Jiri Brus, Sarah R. Whittleton, Stepan Sklenak, Veronika Pashkova
Publikováno v:
The Journal of Physical Chemistry C. 120:14216-14225
High-resolution Al-27 magic-angle spinning (MAS) NMR spectroscopy of dehydrated M-forms (M = Li, Na, and K) of chabazite in tandem with density functional theory calculations are employed to study the quadrupolar interaction of Al-27 nuclei in dehydr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7349a82f0d0c6648741e908c1bc9dc7d
https://doi.org/10.1021/acs.jpcc.6b04391
https://doi.org/10.1021/acs.jpcc.6b04391
Autor:
Petr Klein, Petr Sazama, Barbara Supronowicz, Robert Karcz, Jiri Dedecek, Haunani M. Thomas, Veronika Pashkova, Stepan Sklenak, Edyta Tabor
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany). 23(37)
The TNU-9 zeolite (TUN framework) is one of the most complex zeolites known. It represents a highly promising matrix for both acid and redox catalytic reactions. We present a newly developed approach which includes 29Si and 27Al (3Q) MAS NMR spectros
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57b3e14a1ce5a348b92f76f3c0973862
https://pubmed.ncbi.nlm.nih.gov/28272755
https://pubmed.ncbi.nlm.nih.gov/28272755
Publikováno v:
Journal of Fluorine Chemistry. 130:836-845
In the current paper, we discuss our high level quantum chemical results for the structure and energetics of triplet (and hence open-shell) isomers corresponding to the stoichiometry of one boron, carbon, and fluorine apiece, and two hydrogens. While
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c6b67d36bb03c697b6e5ac0d028c36db
https://doi.org/10.1016/j.jfluchem.2009.07.006
https://doi.org/10.1016/j.jfluchem.2009.07.006
Autor:
Petr Klein, Haunani M. Thomas, Veronika Pashkova, Sarah R. Whittleton, Libor Kobera, Jiri Brus, Jiri Dedecek, Štěpán Sklenák
Publikováno v:
Chemical communications (Cambridge, England). 51(43)
(7)Li-(7)Li correlation MAS NMR spectroscopy, interpreted using periodic DFT including molecular dynamics conformational sampling of Li(+) sites, is employed to obtain the siting of Li(+) at exchangeable positions of ferrierites and the local structu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc650aa7f3e7fb3f5bdfb61d87b64a26
https://pubmed.ncbi.nlm.nih.gov/25929791
https://pubmed.ncbi.nlm.nih.gov/25929791
Publikováno v:
Journal of Fluorine Chemistry. 127:1355-1367
In the current paper, we discuss our high level quantum chemical results for the structure and energetics of singlet (closed-shell) isomers corresponding to the stoichiometry of one boron, carbon, and fluorine apiece, and two hydrogens. While the ket
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aff4917314601a4f4fec4e002476785a
https://doi.org/10.1016/j.jfluchem.2006.07.015
https://doi.org/10.1016/j.jfluchem.2006.07.015
Autor:
Stepan Sklenak, Haunani M. Thomas, Robert Karcz, Petr Klein, Veronika Pashkova, Petr Sazama, Barbara Supronowicz, Jiri Dedecek, Edyta Tabor
Publikováno v:
Chemistry - A European Journal. 23:8987-8987
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0839d3ffe7da4122c59fcb394cef4f04
https://doi.org/10.1002/chem.201701339
https://doi.org/10.1002/chem.201701339
Autor:
Carol A. Deakyne, Lawrence H. Warfel IV, Haunani M. Thomas, Dhananjaya Nauduri, Toyosi Esther A. Ajibowo, Nicole J. Carbonaro, Alec G. Simpson, Joel F. Liebman
Publikováno v:
Croatica Chemica Acta
Volume 82
Issue 1
Volume 82
Issue 1
The energetics of ethylenes and 1,3-butadienes may be interrelated by the reaction: RHC=CH2 + H2C=CHR' → RHC=CH−CH=CHR' + H2. Shown earlier to be nearly enthalpically thermoneutral for a variety of hydrocarbon cases, we are now interested in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______951::a297565094607548c0ca0bc67dcf6644
https://hrcak.srce.hr/38654
https://hrcak.srce.hr/38654