Projects funded by the NCN
BIS-TRIS. Theoretical modeling of redox-tailored bi and tri-heterometallic transition metal complexes as devices for molecular electronics.
2015/19/B/ST4/02718
Keywords:
electrochemical potential potential gradient molecular electronics spintronics polar metal-metal bonds
Descriptors:
- ST4_4: Theoretical and computational chemistry
- ST5_12: Methods of nanomaterials/materials synthesis
- ST4_15: Colloid chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego
woj. mazowieckie
Principal investigator (from the host institution):
Number of co-investigators in the project: 3
Call: OPUS 10 - announced on 2015-09-15
Amount awarded: 567 000 PLN
Project start date (Y-m-d): 2016-07-08
Project end date (Y-m-d): 2020-08-07
Project duration:: 49 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]
- Licencja na program GaussView. (2 szt.) (8 000 PLN)
- Komputer (2 szt.) (7 000 PLN)
Information in the final report
- Publication in academic press/journals (3)
- Unconventional Look at the Diameters of Quantum Systems: Could the Characteristic Atomic Radius Be Interpreted as a Reactivity Measure?Authors:Paweł Szarek, Marcin Witkowski, Aleksander P. WoźniakAcademic press:J. Phys. Chem. C (rok: 2019, tom: 123, strony: 11572–11580), Wydawca: American Chemical SocietyStatus:PublishedDOI:10.1021/acs.jpcc.9b00221 - link to the publication
- Electric Permittivity in Individual Atomic and Molecular Systems Through Direct Associations with Electric Dipole Polarizability and Chemical HardnessAuthors:Paweł SzarekAcademic press:J. Phys. Chem. C (rok: 2017, tom: 121, strony: 12593 − 12602), Wydawca: ACSStatus:PublishedDOI:10.1021/acs.jpcc.7b02626 - link to the publication
- Atomic/Ionic Radius as Mathematical Limit of System Energy EvolutionAuthors:P. Szarek, A.Chlebicki, W. GrochalaAcademic press:J. Phys. Chem. A (rok: 2019, tom: 123, strony: 682–692), Wydawca: American Chemical SocietyStatus:PublishedDOI:10.1021/acs.jpca.8b08813 - link to the publication