Projects funded by the NCN
Unravelling the nature of the interactions between dumped chemical warfare agents and water in the Baltic Sea by means of experimental and first principles studies.
2017/25/B/ST4/02662
Keywords:
chemical warfare agents density functional theory Car i Parrinello molecular dynamics high-performance liquid chromatography mass spectrometry
Descriptors:
- ST4_1: Physical chemistry, chemical physics
- ST4_15: Colloid chemistry
- ST4_6: Instrumental methods in chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Jana Kochanowskiego w Kielcach, Wydział Nauk Ścisłych i Przyrodniczych
woj. świętokrzyskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 4
Call: OPUS 13 - announced on 2017-03-15
Amount awarded: 579 000 PLN
Project start date (Y-m-d): 2018-01-12
Project end date (Y-m-d): 2022-01-11
Project duration:: 48 months (the same as in the proposal)
Project status: Project settled
Project description
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.
Information in the final report
- Publication in academic press/journals (3)
- Understanding the mechanism of the sulfur mustard hydrolysis reaction on the atomistic level from experiment and first-principles simulationsAuthors:Tobias Kloeffel, Diana Gordon, Stanislaw Popiel, Jakub Nawala, Bernd Meyer, Pawel RodziewiczAcademic press:Process Safety and Environmental Protection , Wydawca: ElsevierStatus:SubmittedDOI:brak - link to the publication
- Why does Clark I remain in the marine environment for a long time?Authors:Jakub Nawała, Diana Gordon, Daniel Dziedzic, Paweł Rodziewicz, Stanisław PopielAcademic press:Science of the Total Environment (rok: 2021, tom: 774, strony: 145675), Wydawca: ElsevierStatus:PublishedDOI:10.1016/j.scitotenv.2021.145675 - link to the publication
- Adsorption of sulfur mustard on clean and water-saturated ZnO(100): Structural diversity from first-principles calculationsAuthors:Tobias Klöffel, Mariana Kozlowska, Stanislaw Popiel, Bernd Meyer, PawelRodziewiczAcademic press:Journal of Hazardous Materials (rok: 2021, tom: 402, strony: 123503), Wydawca: ElsevierStatus:PublishedDOI:10.1016/j.jhazmat.2020.123503 - link to the publication