Zobrazeno 1 - 10
of 52
pro vyhledávání: '"Pawel Rodziewicz"'
Autor:
Valdas Sablinskas, Gamil Guirgis, Pawel Rodziewicz, Theodore Carrigan-Broda, Daniel Hickman, Jogile Macyte, Justinas Ceponkus, Rasa Platakyte, Joanna Stocka
Publikováno v:
Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da110cc78e23097ed19fe81a9515d27e
https://doi.org/10.15278/isms.2022.wl08
https://doi.org/10.15278/isms.2022.wl08
Autor:
Mariana Kozlowska, Pawel Rodziewicz, Diana Malgorzata Brus, Justyna Czyrko, Krzysztof Brzezinski
Publikováno v:
Acta Crystallographica Section E, Vol 68, Iss 12, Pp m1570-m1571 (2012)
The asymmetric unit of the title compound, [Ru(C12H8N2)3](ClO4)2, contains one octahedrally coordinated RuII cation of the ruthenium-phenanthroline complex and three differently occupied perchlorate anions: two, denoted A and B, are located on the tw
Externí odkaz:
https://doaj.org/article/6240c2779db64ea98901e9d31d3b8dc3
Autor:
Valdas Sablinskas, Rasa Platakyte, Gamil A. Guirgis, Justinas Ceponkus, Thomas M. C. McFadden, J. Stocka, Pawel Rodziewicz, A.G. Hanna, Valdemaras Aleksa
Publikováno v:
Journal of Molecular Structure. 1249:131644
1‑chloro-1-chloromethylsilacyclohexane (1-Cl-1-ClMSiCH) is a newly synthesized molecular compound whose conformational analysis was performed by means of vibrational spectroscopy and theoretical calculations. Conventional ATR-FTIR and Raman spectro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bd8426661b38d94b652a42137113aa12
https://doi.org/10.1016/j.molstruc.2021.131644
https://doi.org/10.1016/j.molstruc.2021.131644
Publikováno v:
Diamond and Related Materials. 116:108427
Fulleropyrrolidine tris-acid (CPTA) has a wide scope of applications, therefore, we study its solubility in the series of organic solvents and aqueous solutions in a full pH range. Since the solubility, primarily depends on the physicochemical proper
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21198720768831ee18b719d40ebe4d0e
https://doi.org/10.1016/j.diamond.2021.108427
https://doi.org/10.1016/j.diamond.2021.108427
Publikováno v:
Science of The Total Environment. 774:145675
After World War II, based on decisions made at the Potsdam Conference in 1945, over 15,000 tons of chemical warfare agents (CWAs) were dumped in the Baltic Sea. These chemicals are still a threat to people and the maritime economy, but most of all to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7668c7f1d4108c0885d40b7ba072087c
https://doi.org/10.1016/j.scitotenv.2021.145675
https://doi.org/10.1016/j.scitotenv.2021.145675
Publikováno v:
Journal of hazardous materials. 402
We investigate the adsorption of a chemical warfare agent, namely sulfur mustard (SM), on clean and water-saturated ZnO(101¯0) surfaces using density functional theory calculations to understand the first step of its efficient neutralization to less
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b30608e537d68b943d5ab17cb474a175
https://pubmed.ncbi.nlm.nih.gov/32738782
https://pubmed.ncbi.nlm.nih.gov/32738782
Publikováno v:
Journal of Molecular Modeling. 25
The molecular interactions between the commonly used solvent tetrahydrofuran (THF) and single-walled carbon nanotubes (SWCNT) are studied using density functional theory calculations and Car-Parrinello molecular dynamics simulations. The competitive
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2d02fb0790741656993c646d29c1f88
https://doi.org/10.1007/s00894-019-4050-3
https://doi.org/10.1007/s00894-019-4050-3
Publikováno v:
Journal of Hazardous Materials. 402:123503
We investigate the adsorption of a chemical warfare agent, namely sulfur mustard (SM), on clean and water-saturated ZnO(10 1 ¯ 0) surfaces using density functional theory calculations to understand the first step of its efficient neutralization to l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7c1b74cb24fcf7d9a359d7617b490e9c
https://doi.org/10.1016/j.jhazmat.2020.123503
https://doi.org/10.1016/j.jhazmat.2020.123503
Autor:
Gamil A. Guirgis, T. Carrigan-Broda, Thomas M. C. McFadden, Rasa Platakyte, Justinas Ceponkus, Pawel Rodziewicz, J. Stocka, Valdas Sablinskas, Valdemaras Aleksa
Publikováno v:
Journal of Molecular Structure. 1221:128786
Since 1-chloromethyl-1-fluorosilacyclohexane is a newly synthesized molecular compound its structural parameters and conformational stability is unknown. Raman and infrared vibrational spectroscopy methods were employed for analysis of this molecule.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9fe3b7a616bc201aa14a7548c85f0244
https://doi.org/10.1016/j.molstruc.2020.128786
https://doi.org/10.1016/j.molstruc.2020.128786
Publikováno v:
The Journal of Physical Chemistry A. 120:3497-3503
The FTIR spectra of fluoroform trapped in argon and nitrogen matrixes are studied at T ∼ 10-30 K. The bands of E symmetry show the splitting effect in a nitrogen matrix, which is absent in an argon matrix. The effect is the most prominent in the ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6550db3d5c89ebd88414d073f9860490
https://doi.org/10.1021/acs.jpca.6b02039
https://doi.org/10.1021/acs.jpca.6b02039