Projects funded by the NCN

Astrochemistry of sulfur: reaction network and spectroscopy.

Call: OPUS 9 , Panel: ST4

Principal investigator: dr Marcin Gronowski

Instytut Chemii Fizycznej PAN

Ground state vs. excited state - description of interactions in systems containing bicyclic and tricyclic aromatic compo...

Call: OPUS 9 , Panel: ST4

Principal investigator: dr hab. Aneta Jezierska

Uniwersytet Wrocławski, Wydział Chemii

Protein stability in aqueous solutions of osmolytes studied through complementary theoretical and experimental approach

Call: OPUS 6 , Panel: NZ1

Principal investigator: prof. Janusz Stangret

Politechnika Gdańska, Wydział Chemiczny

Thermodynamic and physical properties of liquid binary alloys. Experiment versus modelling

Call: PRELUDIUM 2 , Panel: ST8

Principal investigator: Marcela Trybuła

Instytut Metalurgii i Inżynierii Materiałowej im. Aleksandra Krupkowskiego PAN

Description of inter- and intramolecular interactions in aromatic compounds with fused rings - molecular crystals versus...

Call: OPUS 2 , Panel: ST4

Principal investigator: dr Aneta Jezierska-Mazzarello

Uniwersytet Wrocławski, Wydział Chemii

Ab initio thermodynamics and engineering of point defects in nanometric near-surface areas of III-nitride semiconductors...

Call: OPUS 21 , Panel: ST5

Principal investigator: dr Paweł Kempisty

Instytut Wysokich Ciśnień Polskiej Akademii Nauk

Electronic resonance states in molecules studied with the Feshbach projection technique and equation-of-motion coupled-c...

Call: SONATA 16 , Panel: ST4

Principal investigator: dr Wojciech Skomorowski

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

Radiosensitizing derivatives of pyrimidine or purine nucleobases: Mass spectrometry and quantum chemical studies on low-...

Call: CEUS-UNISONO , Panel: ST4

Principal investigator: prof. Janusz Adam Rak

Uniwersytet Gdański

Ab initio Molecular Dynamics Study on the Influence of Noncovalent Interactions on Mechanochemical Reactivity of Disulfi...

Call: OPUS 19 , Panel: ST4

Principal investigator: dr Przemysław Dopieralski

Uniwersytet Wrocławski, Wydział Chemii

Elastically isotropic and metastable body-centered cubic titanium alloys - First principles and empirical investigation

Call: SONATA 15 , Panel: ST5

Principal investigator: dr Piotr Kwaśniak

Uniwersytet Kardynała Stefana Wyszyńskiego w Warszawie, Centrum Cyfrowej Nauki i Technologii

Fotochemistry and Photophysics of Thiated Prebiotic Precursors of Nucleotides

Call: PRELUDIUM 17 , Panel: ST4

Principal investigator: Mikołaj Janicki

Politechnika Wrocławska

Ab initio prediction of structures and properties of metal-organic frameworks for sensor applications

Call: SONATA 14 , Panel: ST5

Principal investigator: dr Mihails Arhangelskis

Uniwersytet Warszawski, Wydział Chemii

Study of dynamics in the interaction networks of selected co-crystals

Call: PRELUDIUM 15 , Panel: ST3

Principal investigator: Leszek Malec

Uniwersytet Jagielloński, Wydział Chemii

Combined ab initio complete-active-space and on-top-pair-density-mediated density-functional approach for efficient calc...

Call: OPUS 14 , Panel: ST4

Principal investigator: dr hab. Oleg Gritsenko

Politechnika Łódzka, Wydział Fizyki Technicznej, Informatyki i Matematyki Stosowanej

Electronic transport properties of molecular junctions: A novel approach to include temperature effects

Call: PRELUDIUM 12 , Panel: ST3

Principal investigator: Rafał Topolnicki

Uniwersytet Wrocławski, Wydział Fizyki i Astronomii

Studies on temperature dependance of effective H and D atom sizes in crystal phase by ab initio molecular dynamics.

Call: OPUS 12 , Panel: ST4

Principal investigator: dr Przemysław Dopieralski

Uniwersytet Wrocławski, Wydział Chemii

Photochemistry and photophysics of the prebiotic synthetic routes to biomolecules.

Call: OPUS 12 , Panel: ST4

Principal investigator: dr hab. Robert Góra

Politechnika Wrocławska

Mechanism of the discontinuous precipitation reaction - an atomistic simulation study

Call: SONATA 11 , Panel: ST8

Principal investigator: dr Marcela Trybuła

Instytut Metalurgii i Inżynierii Materiałowej im. Aleksandra Krupkowskiego Polskiej Akademii Nauk

Design of hybrid methods of structure modification and innovative protective layers manufacturing ensuring chemical stab...

Call: OPUS 11 , Panel: ST8

Principal investigator: dr hab. Andrzej Koleżyński

Akademia Górniczo-Hutnicza im. Stanisława Staszica w Krakowie, Wydział Inżynierii Materiałowej i Ceramiki

Thermodynamics and structure of liquid Ag-Li-Sb alloys

Call: OPUS 10 , Panel: ST8

Principal investigator: dr hab. Przemysław Fima

Instytut Metalurgii i Inżynierii Materiałowej im. Aleksandra Krupkowskiego Polskiej Akademii Nauk

Refinement of the OPLS-AA force field parameters for selected phospholipids on the basis of quantum-mechanical calculati...

Call: SONATA 9 , Panel: ST4

Principal investigator: dr Anna Wójcik-Augustyn

Uniwersytet Jagielloński, Wydział Biochemii, Biofizyki i Biotechnologii