Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Jittima Thisuwan"'
Publikováno v:
Royal Society Open Science, Vol 8, Iss 12 (2021)
Poly(benzimidazole) (PBI) has received considerable attention as an effective high-temperature polymer electrolyte membrane for fuel cells. In this work, the Grotthuss mechanism for bifunctional proton transfer in PBI membranes was studied using dens
Externí odkaz:
https://doaj.org/article/6c8b9cc3bb41482a9a4cbe58d130e298
Publikováno v:
RSC Advances. 10:8319-8331
The photodissociation of small molecules has been extensively studied because of the increase in environmental problems related to the atmosphere of the Earth. In this work, the photodissociation mechanisms of hydroxylamine (NH2OH) as a model molecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae5168958bd83209bf495130131f9a79
https://doi.org/10.1039/c9ra10956k
https://doi.org/10.1039/c9ra10956k
Publikováno v:
International Journal of Quantum Chemistry. 115:1161-1174
The dynamics and mechanism of proton exchange in phosphonic acid-functionalized polymers were studied using poly(vinyl-phosphonic acid) (PVPA) as a model system along with quantum chemical calculations and Born–Oppenheimer molecular dynamics (BOMD)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d4bea1be934ee34f2d29eacdaf43df08
https://doi.org/10.1002/qua.24944
https://doi.org/10.1002/qua.24944
Publikováno v:
International Journal of Applied and Physical Sciences. 3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efe6bb0b907b01e567b5e83ce3096ae1
https://doi.org/10.20469/ijaps.3.50003-3
https://doi.org/10.20469/ijaps.3.50003-3
Publikováno v:
Physical chemistry chemical physics : PCCP. 18(7)
The dynamics and mechanism of excited-state proton dissociation and transfer in microhydrated hydroxylamine clusters are studied using NH2OH(H2O)n (n = 1-4) as model systems and the DFT/B3LYP/aug-cc-pVDZ and TD-DFT/B3LYP/aug-cc-pVDZ methods as model
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b2c1d772ebcbda09d29f84999ff9f17
https://pubmed.ncbi.nlm.nih.gov/26862862
https://pubmed.ncbi.nlm.nih.gov/26862862
Hydroxylamine is a prototypical molecule displaying OH and NH bond interactions. Despite the early interest in the photolysis of NH 2 OH the primary mechanism of photodissociation remained unclear. Here we perform nonadiabatic trajectory-surface-hopp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e0561891725cfdc6fe6b342cf080460
https://www.bib.irb.hr/840164
https://www.bib.irb.hr/840164
