Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

Delete all

Modelling and characterization of two-photon absorption processes for chosen fluorescent proteins with theoretical chemistry methods

2016/21/N/ST4/00004

Keywords:

Fluorescent proteins molecular modelling two-photon absorption

Descriptors:

  • ST4_15: Colloid chemistry
  • ST2_14: Non-linear phenomena

Panel:

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

Host institution :

Politechnika Wrocławska

woj. dolnośląskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

Dawid Grabarek 

Number of co-investigators in the project: 2

Call: PRELUDIUM 11 - announced on 2016-03-15

Amount awarded: 118 444 PLN

Project start date (Y-m-d): 2017-02-27

Project end date (Y-m-d): 2020-02-26

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.

Equipment purchased [PL]

  1. Laptop Lenovo (3 500 PLN)
  2. Zewnętrzny dysk twardy - pojemność ok. 5 TB (650 PLN)
  3. Pakiet ChemShell (3 600 PLN)
  4. Zasilacz awaryjny (1 138 PLN)
  5. Drukarka Brother (995 PLN)
  6. Stacja Robocza Lenovo ThinkStation (24 903 PLN)

Information in the final report

  • Publication in academic press/journals (4)
  1. Assessment of Functionals for TDDFT Calculations of One- and Two-Photon Absorption Properties of Neutral and Anionic Fluorescent Proteins Chromophores
    Authors:
    Dawid Grabarek, Tadeusz Andruniów
    Academic press:
    Journal of Chemical Theory and Computation (rok: 2019, tom: 15, strony: 490-508), Wydawca: American Chemical Society Publications
    Status:
    Published
    DOI:
    10.1021/acs.jctc.8b00769 - link to the publication
  2. Illuminating the origins of two-photon absorption properties in fluorescent protein chromophores
    Authors:
    Dawid Grabarek, Tadeusz Andruniów
    Academic press:
    International Journal of Quantum Chemistry (rok: 2020, tom: 120, strony: e26086), Wydawca: Wiley Periodicals, Inc.
    Status:
    Published
    DOI:
    10.1002/qua.26086 - link to the publication
  3. Removing artifacts in polarizable embedding calculations of one- and two-photon absorption spectra of fluorescent proteins
    Authors:
    Dawid Grabarek, Tadeusz Andruniów
    Academic press:
    The Journal of Chemical Physics (rok: 2020, tom: 153, strony: 215102), Wydawca: American Institute of Physics
    Status:
    Published
    DOI:
    10.1063/5.0023434 - link to the publication
  4. What is the Optimal Size of the Quantum Region in Embedding Calculations of Two-Photon Absorption Spectra of Fluorescent Proteins?
    Authors:
    Dawid Grabarek, Tadeusz Andruniów
    Academic press:
    Journal of Chemical Theory and Computation (rok: 2020, tom: 16, strony: 6439-6455), Wydawca: American Chemical Society Publications
    Status:
    Published
    DOI:
    10.1021/acs.jctc.0c00602 - link to the publication

O Narodowym Centrum Nauki

Finansowanie nauki

Współpraca zagraniczna

Centrum prasowe

Deklaracja dostępności
Przetwarzanie danych osobowych
Polityka cookies

Partnerzy