Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

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Resonant and non-resonant nonlinear optical properties of molecules in confined spaces. Theoretical study.

2013/09/N/ST4/00325

Keywords:

spatial confinement electro-optical properties molecular (hyper)polarizabilities two-photon absorption

Descriptors:

  • ST4_15: Colloid chemistry
  • ST4_1: Physical chemistry, chemical physics

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Politechnika Wrocławska, Wydział Chemiczny

woj. dolnośląskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Justyna Kozłowska 

Number of co-investigators in the project: 3

Call: PRELUDIUM 5 - announced on 2013-03-15

Amount awarded: 147 390 PLN

Project start date (Y-m-d): 2014-05-14

Project end date (Y-m-d): 2017-05-13

Project duration:: 36 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Komputer - stacja robocza (4 000 PLN)

Information in the final report

  • Publication in academic press/journals (6)
  1. About the nature of halogen bond interaction under the spatial confinemen
    Authors:
    Agnieszka Roztoczyńska, Paweł Lipkowski, Justyna Kozłowska, Wojciech Bartkowiak
    Academic press:
    Journal of Chemical Physics (rok: 2017, tom: 146, strony: 154304), Wydawca: American Institute of Physics (AIP) Publishing
    Status:
    Published
    DOI:
    10.1063/1.4980033 - link to the publication
  2. The effect of spatial confinement on the noble-gas HArF molecule: Structure and electric properties
    Authors:
    Justyna Kozłowska, Wojciech Bartkowiak
    Academic press:
    Chemical Physics (rok: 2014, tom: 441, strony: 83-92), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemphys.2014.07.008 - link to the publication
  3. On the directional character of orbital compression: A model study of the electric properties of LiH-(He)n complexes
    Authors:
    Marta Chołuj, Justyna Kozłowska, Agnieszka Roztoczyńska, Wojciech Bartkowiak
    Academic press:
    Chemical Physics (rok: 2015, tom: 459, strony: 24-30), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemphys.2015.07.022 - link to the publication
  4. About diverse behavior of the molecular electric properties upon spatial confinement
    Authors:
    Justyna Kozłowska, Agnieszka Roztoczyńska, Wojciech Bartkowiak
    Academic press:
    Chemical Physics (rok: 2015, tom: 456, strony: 98-105), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemphys.2014.12.003 - link to the publication
  5. Two-photon absorption of the spatially confined LiH molecule
    Authors:
    Justyna Kozłowska, Marta Chołuj, Robert Zaleśny, Wojciech Bartkowiak
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2017, tom: 19, strony: 7568-7575), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c6cp07368a - link to the publication
  6. Assessment of DFT for endohedral complexes' dipole moment: PNO-LCCSD-F12 as a reference method
    Authors:
    Justyna Kozłowska, Max Schwilk, Agnieszka Roztoczyńska, Wojciech Bartkowiak
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2018, tom: 20, strony: 29374-29388), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C8CP05928D - link to the publication

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