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Information of the project and the call

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NONLINEAR OPTICAL PROPERTIES OF MOLECULAR COMPLEXES

2015/19/B/ST4/01881

Keywords:

nonlinear optical properties intermolecular interactions molecular complexes anharmonicity

Descriptors:

  • ST4_15: Colloid chemistry

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 Robert Zaleśny 

Number of co-investigators in the project: 2

Call: OPUS 10 - announced on 2015-09-15

Amount awarded: 180 360 PLN

Project start date (Y-m-d): 2016-07-14

Project end date (Y-m-d): 2019-07-13

Project duration:: 36 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.

Information in the final report

  • Publication in academic press/journals (9)
  1. Benchmarking the performance of exchange-correlation functionals for predicting two-photon absorption strengths
    Authors:
    M. T. P. Beerepoot, Md. M. Alam, J. Bednarska, W. Bartkowiak, K. Ruud, R. Zaleśny
    Academic press:
    Journal of Chemical Theory and Computation (rok: 2018, tom: 14, strony: 3677-3685), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jctc.8b00245 - link to the publication
  2. Electric properties of hydrated uracil: From micro- to macrohydration
    Authors:
    T. Hrivnák, Š. Budzák, H. Reis, R. Zaleśny, P. Carbonnière, M. Medveď
    Academic press:
    Journal of Molecular Liquids (rok: 2019, tom: 275, strony: 338-346), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.molliq.2018.11.044 - link to the publication
  3. Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems
    Authors:
    R. Zaleśny, M. Medved', R. W. Góra, H. Reis, J. M. Luis
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2018, tom: 20, strony: 19841-19849), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C8CP02967A - link to the publication
  4. Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems
    Authors:
    M. Medved, A. Iglesias-Reguant, H. Reis, R. W. Gora, J. M. Luis, R. Zaleśny
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2020, tom: 22, strony: 4225-4234), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c9cp06620a - link to the publication
  5. Unusual Binding-Site-Specific Photophysical Properties of the Benzothiazole-Based Optical Probe in Amyloid Beta Fibrils
    Authors:
    N. A. Murugan, R. Zaleśny, H. Agren
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2018, tom: 20, strony: 20334-20339), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C8CP03274B - link to the publication
  6. Two-photon absorption of the spatially confined LiH molecule
    Authors:
    J. Kozłowska, M. Chołuj, R. Zaleśny, W. 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
  7. Vibrational nonlinear optical properties of spatially confined weakly bound complexes
    Authors:
    R. Zaleśny, M. Chołuj, J. Kozłowska, W. Bartkowiak, J. M. Luis
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2017, tom: 19, strony: 24276-24283), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C7CP04259K - link to the publication
  8. Can density functional theory be trusted for high-order electric properties? The case of hydrogen-bonded complexes
    Authors:
    R. Zaleśny, M. Medved', S. P. Sitkiewicz, E. Matito, J. M. Luis
    Academic press:
    Journal of Chemical Theory and Computation (rok: 2019, tom: 15, strony: 3570-3579), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jctc.9b00139 - link to the publication
  9. On the physical origins of interaction-induced vibrational (hyper)polarizabilities
    Authors:
    R. Zaleśny, M. Garcia-Borras, R. Góra, M. Medved', J. M. Luis
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2016, tom: 18, strony: 22467-22477), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C6CP02500E - link to the publication

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