Projects funded by the NCN
Properties of the noble-gas compounds and their complexes
2011/03/D/ST4/01341
Keywords:
noble gases noble-gas compounds intermolecular interactions SAPT NMR spectroscopy molecular modelling complexes
Descriptors:
- ST4_15: Colloid chemistry
- ST5_8: Metals, alloys
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Warszawski, Wydział Chemii
woj. 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 (Y-m-d): 2012-09-25
Project end date (Y-m-d): 2016-09-24
Project duration:: 48 months (the same as in the proposal)
Project status: Project settled
Equipment purchased [PL]
- Klaster obliczeniowy (50 000 PLN)
- Komputer stacjonarny (10 000 PLN)
Information in the final report
- Publication in academic press/journals (2)
- The influence of the dispersion corrections on the performance of DFT method in modeling HNgY noble gas molecules and their complexesAuthors:Janusz Cukras, Joanna SadlejAcademic press:Chemical Physics Letters (rok: 2018, tom: 691, strony: 319–324), Wydawca: ElsevierStatus:PublishedDOI:10.1016/j.cplett.2017.11.040 - link to the publication
- Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) ComplexesAuthors:Janusz Cukras, Grzegorz Skóra, Joanna Jankowska, Jan LundellAcademic press:Inorganics (Special Issue: "Novel Non-Covalent Interactions") (rok: 2018, tom: 6, strony: 100), Wydawca: Multidisciplinary Digital Publishing Institute (MDPI)Status:PublishedDOI:10.3390/inorganics6030100 - link to the publication