Towards the (astro)chemistry of charged policyclic aromatic hydrocarbons.
2011/03/B/ST4/01351
Keywords
Descriptors
- ST4_15: Chemia teoretyczna i obliczeniowa
- ST9_3: Materia międzygwiazdowa
Panel
ST4 – Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution
Uniwersytet Łódzki, Wydział Chemii
Voivodeship: łódzkie
Principal investigator (from the host institution)
Number of co-investigators in the project: 3
Call
OPUS 2 – announced on 2011-09-15
- Amount awarded
- 95 500 PLN
- Project start date
- 2012-09-05
- Project end date
- 2014-03-04
- Project duration
- 18 months (the same as in the proposal)
- Project status
- Project settled
Equipment purchased [PL]
- notebook z oprogramowaniem i oprzyrządowaniem. Cost: 8 496 PLN
- serwer obliczeniowy typu rack. Cost: 10 600 PLN
- wolnostojąca stacja obliczeniowa. Cost: 19 800 PLN
Information in the final report
Publication in academic press/journals (5)
-
Aromaticity from the viewpoint of molecular geometry: application to planar systems
- Authors:
- Tadeusz M. Krygowski, Halina Szatylowicz, Olga A. Stasyuk, Justyna Dominikowska, Marcin Palusiak
- Academic press:
- Chemical Reviews (year: 2014, volume: 114, pages: 6383−6422), Publisher: American Chemical Society
- Status:
- Published
- DOI:
- 10.1021/cr400252h – link to the publication
-
The influence of substituent effect on noncovalent interactions in ternary complexes stabilized by hydrogen-bonding and halogen-bonding
- Authors:
- Małgorzata Domagała, Marcin Palusiak
- Academic press:
- Computational and Theoretical Chemistry (year: 2014, volume: 1027, pages: 173-178), Publisher: Elsevier
- Status:
- Published
- DOI:
- 10.1016/j.comptc.2013.11.007 – link to the publication
-
UV-Vis spectra of singlet state cationic polycyclic aromatic hydrocarbons (time-dependent density functional theory study)
- Authors:
- Justyna Dominikowska, Malgorzata Domagała and Marcin Palusiak
- Academic press:
- Journal of Chemical Physics (year: 2014, volume: 140, pages: 044324-1 - 044324-11), Publisher: American Institute of Physics
- Status:
- Published
- DOI:
- 10.1063/1.4862902 – link to the publication
-
Substituent effect on benzene dication
- Authors:
- Marcin Palusiak, Małgorzata Domagała, Justyna Dominikowska, F. Matthias Bickelhaupt
- Academic press:
- Physical Chemistry Chemical Physics (year: 2014, volume: 16, pages: 4752-4763), Publisher: Royal Society of Chemistry
- Status:
- Published
- DOI:
- 10.1039/C3CP54089H – link to the publication
-
Halogen–halogen interaction in view of many-body approach
- Authors:
- Justyna Dominikowska, Marcin Palusiak
- Academic press:
- Chemical Physics Letters (year: 2013, volume: 583, pages: 46247), Publisher: Elsevier
- Status:
- Published
- DOI:
- 10.1016/j.cplett.2013.07.055 – link to the publication