Properties of the noble-gas compounds and their complexes
2011/03/D/ST4/01341
Keywords
Descriptors
- ST4_15: Chemia teoretyczna i obliczeniowa
- ST5_8: Nowe materiały: tlenki, stopy, kompozyty, hybrydy organiczno-nieorganiczne, nadprzewodniki
Panel
ST4 – Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution
Uniwersytet Warszawski, Wydział Chemii
Voivodeship: mazowieckie
Principal investigator (from the host institution)
Number of co-investigators in the project: 3
Call
SONATA 2 – announced on 2011-09-15
- Amount awarded
- 158 280 PLN
- Project start date
- 2012-09-25
- Project end date
- 2016-09-24
- Project duration
- 48 months (the same as in the proposal)
- Project status
- Project settled
Equipment purchased [PL]
- Klaster obliczeniowy. Cost: 50 000 PLN
- Komputer stacjonarny. Cost: 10 000 PLN
Information in the final report
Publication in academic press/journals (2)
-
Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) Complexes
- Authors:
- Janusz Cukras, Grzegorz Skóra, Joanna Jankowska, Jan Lundell
- Academic press:
- Inorganics (Special Issue: Novel Non-Covalent Interactions) (year: 2018, volume: 6, pages: 100), Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
- Status:
- Published
- DOI:
- 10.3390/inorganics6030100 – link to the publication
-
The influence of the dispersion corrections on the performance of DFT method in modeling HNgY noble gas molecules and their complexes
- Authors:
- Janusz Cukras, Joanna Sadlej
- Academic press:
- Chemical Physics Letters (year: 2018, volume: 691, pages: 319–324), Publisher: Elsevier
- Status:
- Published
- DOI:
- 10.1016/j.cplett.2017.11.040 – link to the publication