Projects funded by the NCN
Description of inter- and intramolecular interactions in aromatic compounds with fused rings - molecular crystals versus gas phase: ab initio molecular dynamics investigations.
2011/03/B/ST4/00699
Keywords:
aromatic compounds with fused rings molecular crystals molecular switches molecular interactions CPMD BOMD PIMD Metadynamics DFT MP2 SAPT
Descriptors:
- ST4_15: Colloid chemistry
- ST4_4: Theoretical and computational chemistry
- ST4_2: Spectroscopic and spectrometric techniques
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Wrocławski, Wydział Chemii
woj. dolnośląskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: OPUS 2 - announced on 2011-09-15
Amount awarded: 254 300 PLN
Project start date (Y-m-d): 2012-08-09
Project end date (Y-m-d): 2015-08-08
Project duration:: 36 months (the same as in the proposal)
Project status: Project settled