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NONLINEAR OPTICAL PROPERTIES OF MOLECULAR COMPLEXES

2015/19/B/ST4/01881

Keywords

Descriptors

  • ST4_15: Chemia teoretyczna i obliczeniowa

Panel

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

Host institution

Politechnika Wrocławska, Wydział Chemiczny

Voivodeship: 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
2016-07-14
Project end date
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. 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 (year: 2017, volume: 19, pages: 24276-24283), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C7CP04259K – link to the publication

  2. Two-photon absorption of the spatially confined LiH molecule

    Authors:
    J. Kozłowska, M. Chołuj, R. Zaleśny, W. Bartkowiak
    Academic press:
    Physical Chemistry Chemical Physics (year: 2017, volume: 19, pages: 7568-7575), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C6CP07368A – 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 (year: 2018, volume: 20, pages: 19841-19849), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C8CP02967A – link to the publication

  4. 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 (year: 2016, volume: 18, pages: 22467-22477), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C6CP02500E – link to the publication

  5. 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 (year: 2019, volume: 275, pages: 338-346), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.molliq.2018.11.044 – link to the publication

  6. 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 (year: 2019, volume: 15, pages: 3570-3579), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jctc.9b00139 – link to the publication

  7. 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 (year: 2018, volume: 20, pages: 20334-20339), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C8CP03274B – link to the publication

  8. 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 (year: 2020, volume: 22, pages: 4225-4234), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c9cp06620a – link to the publication

  9. 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 (year: 2018, volume: 14, pages: 3677-3685), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jctc.8b00245 – link to the publication

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