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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Spectroscopy and origin of thiocyanates, isothiocyanates and other sulphur-bearing molecular components of the interstellar medium

2011/01/D/ST4/04345

Keywords:

astrochemistry thiocyanates isothiocyanates ab initio couplet clusters transition state theory matrix spectroscopy rotational spectroscopy absolute band intensities stochastic minima search procedure

Descriptors:

  • ST4_3: Molecular architecture and structure
  • ST4_15: Colloid chemistry
  • ST9_3: Interstellar medium

Panel:

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

Host institution :

Instytut Chemii Fizycznej PAN

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Marcin Gronowski 

Number of co-investigators in the project: 6

Call: SONATA 1 - announced on 2011-03-15

Amount awarded: 198 250 PLN

Project start date (Y-m-d): 2011-12-01

Project end date (Y-m-d): 2014-11-30

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

Project status: Project settled

Equipment purchased [PL]

  1. Klaster komputerowy wraz z pakietami oprogramowania kwantowochemicznego (17 500 PLN)
  2. Komputer wraz ze wszystkimi urządzeniami zewnętrznymi oraz systemem operacyjnym (4 600 PLN)
  3. Standardowe i specjalizowane oprogramowanie PC (2 005 PLN)

Information in the final report

  • Publication in academic press/journals (3)
  1. A theoretical study on structure and spectroscopy of C4H2+ isomers
    Authors:
    Gronowski, M; Kołos, R; Krełowski, J;
    Academic press:
    CHEMICAL PHYSICS LETTERS (rok: 2013, tom: 582, strony: 56-59), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cplett.2013.07.053 - link to the publication
  2. A THEORETICAL STUDY ON THE INTERSTELLAR SYNTHESIS OF H2NCS+ AND HNCSH+ CATIONS
    Authors:
    Gronowski, M.; Kołos, R.
    Academic press:
    ASTROPHYSICAL JOURNAL (rok: 2014, tom: 792, strony: 89), Wydawca: IOP PUBLISHING LTD
    Status:
    Published
    DOI:
    10.1088/0004-637X/792/2/89 - link to the publication
  3. An ab initio study of structure, stability, and spectroscopic parameters of 5-atomic [C, C, H, N, S] isomers
    Authors:
    Gronowski, M.; Kołos, R.;
    Academic press:
    Journal of Molecular Structure (rok: 2015, tom: 1090, strony: 76-85), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.molstruc.2015.01.001 - link to the publication

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