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Information on the principal investigator and host institution

Information of the project and the call

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Universal standardization of NMR spectra based on the direct measurements and quantum-chemical calculations of nuclear magnetic shielding in molecules

2011/01/B/ST4/06588

Keywords:

shielding constants nuclear magnetic moments intermolecular interactions

Descriptors:

  • ST4_3: Molecular architecture and structure

Panel:

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

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Karol Jackowski 

Number of co-investigators in the project: 10

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

Amount awarded: 400 000 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. Pompa próżniowa rotacyjna DS102 (2 szt.) (21 000 PLN)

Information in the final report

  • Publication in academic press/journals (8)
  • Articles in post-conference publications (1)
  • Book publications / chapters in book publications (3)
  1. 19F and 29Si nuclear magnetic shielding and spin-spin coupling constants in silicon tetrafluoride and hexafluordisiloxane in the gaseous state
    Authors:
    Włodzierz Makulski
    Academic press:
    Journal of Molecular Structure (rok: 2012, tom: 1036, strony: 168-173), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.molstruc.2012.09.046 - link to the publication
  2. The determination of accurate nuclear magnetic dipole moments and direct measurement of NMR shielding constants
    Authors:
    Michał Jaszuński, Andrej Antusek, Piotr Garbacz, Karol Jackowski, Włodzimierz Makulski, Marcin Wilczek
    Academic press:
    Progress in Nuclear Magnetic Resonance Spectroscopy (rok: 2012, tom: 67, strony: 49-63), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.pnmrs.2012.03.002 - link to the publication
  3. 129Xe and 131Xe nuclear magnetic dipole moments from gas phase NMR spectra
    Authors:
    Włodzimierz Makulski
    Academic press:
    Magnetic Resonance in Chemistry (rok: 2015, tom: 53, strony: 273-279), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/mrc.4191 - link to the publication
  4. Spin-rotation and NMR shielding constants in HCl
    Authors:
    Michał Jaszuński, Michal Repisky, Taye B. Demissie, Stanislav Komorovsky, Elena Malkin, Kenneth Ruud, Piotr Garbacz, Karol Jackowski, Piotr Garbacz
    Academic press:
    The Journal of Chemical Physics (rok: 2013, tom: 139, strony: 234302(1) - 234302(6)), Wydawca: American Institute of Physics
    Status:
    Published
    DOI:
    10.10631/1.4840295 - link to the publication
  5. 1H and 13C shielding measurements in comparison with DFT calculations performed for two 2-(acetyloamino)-N,N-dimethyl-3-phenylacrylamide isomers
    Authors:
    Łukasz Jaremko, Mariusz Jaremko, Aneta Buczek, Małgorzata A. Broda, Teobald Kupka, Karol Jackowski
    Academic press:
    Chemical Physics Letters (rok: 2015, tom: 627, strony: 45297), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cplett.2015.03.021 - link to the publication
  6. 83Kr nuclear magnetic moment of that of 3He
    Authors:
    Włodzimierz Makulski
    Academic press:
    Magnetic Resonance in Chemistry (rok: 2014, tom: 52, strony: 430-434), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/mrc.4083 - link to the publication
  7. NMR shielding constants in SeH2 and TeH2
    Authors:
    Michał Jaszuński, Małgorzata Olejniczak
    Academic press:
    Molecular Physics (rok: 2013, tom: 111, strony: 1355-1363), Wydawca: Taylor & Francis
    Status:
    Published
    DOI:
    10.1080/00268976.2013.793839 - link to the publication
  8. NMR shielding of helium-3 in the micropores of zeolites
    Authors:
    Piotr Garbacz, Karol Jackowski
    Academic press:
    Microporous and Mesoporous Materials (rok: 2015, tom: 205, strony: 52-55), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2014.07.59 - link to the publication
  1. Analytical application of NMR spectra in the gas phase
    Authors:
    Karol Jackowski
    Conference:
    5th International Conference on Drug Discovery & Therapy (rok: 2013, ), Wydawca: Bentham Open
    Data:
    konferencja 18-21.02.2013
    Status:
    Published
    DOI:
    link to the publication
  1. Accurate nonrelativistic calculations of NMR shielding constants
    Authors:
    Andrej Antusek, Michał Jaszuński
    Book:
    Gas Phase NMR, Editors: Karol Jackowski and Michał Jaszuński (rok: 2016, tom: Chapter 6, strony: 186-217), Wydawca: The Royal Society of Chemistry, ISBN: 978-1-78262-161-4, DOI: 10.1039/9781782623816
    Status:
    Published
    DOI:
    link to the publication
  2. 17O and 33S NMR spectroscopy of small molecules in the gas phase
    Authors:
    Włodzimierz Makulski
    Book:
    Gas Phase NMR, Editors: Karol Jackowski and Michał Jaszuński (rok: 2016, tom: Chapter 5, strony: 152-185), Wydawca: The Royal Society of Chemistry, ISBN: 978-1-78262-161-4, DOI: 10.1039/9781782623816
    Status:
    Published
    DOI:
    link to the publication
  3. Nuclear magnetic moments and NMR measurements of shielding
    Authors:
    Karol Jackowski, Piotr Garbacz
    Book:
    Gas Phase NMR, Editors: Karol Jackowski and Michał Jaszuński (rok: 2016, tom: Chapter 3, strony: 95-125), Wydawca: The Royal Society of Chemistry, ISBN: 978-1-78262-161-4, DOI: 10.1039/9781782623816
    Status:
    Published
    DOI:
    link to the publication

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