Projects funded by the NCN
Development of the adiabatic variational theory for cold atom-diatomic molecule collision experiments
2016/23/D/ST4/00341
Keywords:
atom-molecule collisions cold collisions adiabatic variational theory cross section Penning ionization
Descriptors:
- ST4_15: Colloid chemistry
- ST4_7: Electrochemistry, microfluidics in chemistry, sensors
- ST2_7: Atomic and molecular physics
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Mikołaja Kopernika, Wydział Chemii
woj. kujawsko-pomorskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 1
Call: SONATA 12 - announced on 2016-09-15
Amount awarded: 164 912 PLN
Project start date (Y-m-d): 2017-09-01
Project end date (Y-m-d): 2020-06-30
Project duration:: 34 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.
Equipment purchased [PL]
- MATLAB + zestaw narzędzi programistycznych do obliczeń równoległych (3 600 PLN)
- Dwunastozatokowa sieciowa pamięć masowa do klastra komputerowego (20 000 PLN)
- Notebook (4 500 PLN)
Information in the final report
- Publication in academic press/journals (4)
- Quantum effects in cold molecular collisions from spatial polarization of electronic wave functionAuthors:Debarati Bhattacharya, Mariusz Pawlak, Anael Ben-Asher, Arie Landau, Idan Haritan, Edvardas Narevicius, and Nimrod MoiseyevAcademic press:Journal of Physical Chemistry Letters (rok: 2019, tom: 10, strony: 855−863), Wydawca: ACS PublicationsStatus:PublishedDOI:10.1021/acs.jpclett.8b03807 - link to the publication
- Kinetic isotope effect in low-energy collisions between hydrogen isotopologues and metastable helium atoms: Theoretical calculations including the vibrational excitation of the moleculeAuthors:Mariusz Pawlak, Piotr S. Żuchowski, Piotr JankowskiAcademic press:Journal of Chemical Theory and Computation (rok: 2020, ), Wydawca: ACS PublicationsStatus:SubmittedDOI:brak - link to the publication
- Evidence of nonrigidity effects in the description of low-energy anisotropic molecular collisions of hydrogen molecules with excited metastable helium atomsAuthors:Mariusz Pawlak, Piotr S. Żuchowski, Nimrod Moiseyev, Piotr JankowskiAcademic press:Journal of Chemical Theory and Computation (rok: 2020, tom: 16, strony: 2450−2459), Wydawca: ACS PublicationsStatus:PublishedDOI:10.1021/acs.jctc.0c00183 - link to the publication
- Simple closed-form expression for Penning reaction rate coefficients for cold molecular collisions by non-Hermitian time-independent adiabatic scattering theoryAuthors:Mariusz Pawlak, Anael Ben-Asher, Nimrod MoiseyevAcademic press:Journal of Chemical Theory and Computation (rok: 2018, tom: 14, strony: 236-241), Wydawca: ACS PublicationsStatus:PublishedDOI:10.1021/acs.jctc.7b01017 - link to the publication