Jacek Koput

Jacek Koput

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Jacek Koput

Jacek Koput

Publications by authors named "Jacek Koput"

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37Publications

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Spectral and photophysical properties of cytisine in acetonitrile - Theory and experiment.

Spectrochim Acta A Mol Biomol Spectrosc 2018 Oct 26;203:375-382. Epub 2018 May 26.

Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, 61-614 Poznań, Poland.

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October 2018

Ab initio potential energy surface and vibration-rotation energy levels of germanium dicarbide, GeC.

Authors:
Jacek Koput

J Comput Chem 2018 Jul 5;39(19):1327-1334. Epub 2018 Mar 5.

Department of Chemistry, Adam Mickiewicz University, Poznań, 61-614, Poland.

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July 2018

Ab initio potential energy surface and vibration-rotation energy levels of sulfur dioxide.

Authors:
Jacek Koput

J Comput Chem 2017 May 28;38(12):892-900. Epub 2017 Feb 28.

Department of Chemistry, Adam Mickiewicz University, Poznań, 61-614, Poland.

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May 2017

Electron transfer in silicon-bridged adjacent chromophores: the source for blue-green emission.

Phys Chem Chem Phys 2017 May;19(18):11404-11415

Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89 b, 61-614 Poznan, Poland.

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May 2017

Fluorescent H-aggregates of an asymmetrically substituted mono-amino Zn(ii) phthalocyanine.

Dalton Trans 2017 Feb;46(6):1914-1926

Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89 b, 61-614 Poznan, Poland.

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February 2017

Ab initio potential energy surface and vibration-rotation energy levels of beryllium monohydroxide.

Authors:
Jacek Koput

J Comput Chem 2017 01 24;38(1):37-43. Epub 2016 Oct 24.

Department of Chemistry, Adam Mickiewicz University, Poznań, 61-614, Poland.

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January 2017

Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC2.

Authors:
Jacek Koput

J Comput Chem 2016 10 2;37(26):2395-402. Epub 2016 Aug 2.

Department of Chemistry, Adam Mickiewicz University, Poznań, 61-614, Poland.

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October 2016

Ab initio spectroscopic characterization of borane, BH, in its X1Σ+ electronic state.

Authors:
Jacek Koput

J Comput Chem 2015 Nov 7;36(30):2219-27. Epub 2015 Oct 7.

Department of Chemistry, Adam Mickiewicz University, Poznań, 61-614, Poland.

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November 2015

Ab initio ground-state potential energy function and vibration-rotation energy levels of imidogen, NH.

Authors:
Jacek Koput

J Comput Chem 2015 Jun 28;36(17):1286-94. Epub 2015 Apr 28.

Department of Chemistry, Adam Mickiewicz University, 61-614, Poznań, Poland.

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June 2015

Photophysics, excited-state double-proton transfer and hydrogen-bonding properties of 5-deazaalloxazines.

Photochem Photobiol 2014 Sep-Oct;90(5):972-88. Epub 2014 Jun 5.

Faculty of Chemistry, Adam Mickiewicz University in Poznań, Poznań, Poland.

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May 2015

Ab initio ground-state potential energy functions of beryllium monohydride ions: BeH+ and BeH-.

Authors:
Jacek Koput

J Chem Phys 2013 Sep;139(10):104309

Department of Chemistry, Adam Mickiewicz University, 61-614 Poznań, Poland.

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September 2013

Variational calculation of highly excited rovibrational energy levels of H2O2.

J Phys Chem A 2013 Aug 9;117(32):7367-77. Epub 2013 May 9.

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.

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August 2013

Ab initio potential energy surface and vibration-rotation energy levels of lithium monohydroxide.

Authors:
Jacek Koput

J Chem Phys 2013 Jun;138(23):234301

Department of Chemistry, Adam Mickiewicz University, 61-614 Poznań, Poland.

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June 2013

Accurate ab initio potential energy surface and vibration-rotation energy levels of hydrogen peroxide.

J Comput Chem 2013 Feb 10;34(5):337-45. Epub 2012 Oct 10.

Department of Chemistry, Adam Mickiewicz University, 60-780 Poznań, Poland.

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February 2013

Hydrogen bond effects in the ground and excited singlet states of 4H-1-benzopyrane-4-thione in water--theory and experiment.

Phys Chem Chem Phys 2012 Jul 7;14(25):8842-51. Epub 2012 Feb 7.

Photochemistry and Spectroscopy Laboratory, Faculty of Chemistry, Adam Mickiewicz University, Poznań, Poland.

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July 2012

Acid-base equilibriums of lumichrome and its 1-methyl, 3-methyl, and 1,3-dimethyl derivatives.

J Phys Chem A 2012 Jul 10;116(28):7474-90. Epub 2012 Jul 10.

Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland.

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July 2012

The ground-state potential energy function of a beryllium dimer determined using the single-reference coupled-cluster approach.

Authors:
Jacek Koput

Phys Chem Chem Phys 2011 Dec 13;13(45):20311-7. Epub 2011 Oct 13.

Department of Chemistry, Adam Mickiewicz University, 60-780 Poznań, Poland.

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December 2011

The ab initio ground-state potential energy function of beryllium monohydride, BeH.

Authors:
Jacek Koput

J Chem Phys 2011 Dec;135(24):244308

Department of Chemistry, Adam Mickiewicz University, Poznań, Poland.

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December 2011

Influence of hydrogen bonds and nonspecific interactions on the spectral and photophysical properties of the excited singlet states of 4-aminophthalimide in amine solution.

Chemphyschem 2011 Feb 25;12(2):322-32. Epub 2010 Nov 25.

Department of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland.

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February 2011

Ab initio characterization of the Mg-HF van der Waals complex.

J Chem Phys 2010 Oct;133(16):164305

Department of Chemistry, Adam Mickiewicz University, 60-780 Poznań, Poland.

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October 2010

Analysis of the FASSST rotational spectrum of NCNCS in view of quantum monodromy.

Phys Chem Chem Phys 2010 Aug 6;12(29):8158-89. Epub 2010 Apr 6.

Department of Physics, The Ohio State University, Columbus Ohio 43210-1106, USA.

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August 2010

Ab initio prediction of the structure and vibration-rotation spectroscopic properties of Na2OH and K2OH.

J Comput Chem 2010 May;31(7):1542-9

Department of Chemistry, Adam Mickiewicz University, 0-780 Poznań, Poland.

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May 2010

Ab initio characterization of the Ca-HCl van der Waals complex.

J Chem Phys 2010 Feb;132(6):064307

Department of Chemistry, Adam Mickiewicz University, Poznań 60-780, Poland.

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February 2010

Ab initio study on the structure and vibration-rotation energy levels of dilithium monofluoride.

Authors:
Jacek Koput

J Chem Phys 2008 Oct;129(15):154306

Department of Chemistry, Adam Mickiewicz University, 60-780 Poznan, Poland.

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October 2008

Ab initio prediction of the structure and vibration-rotation spectroscopic properties of Li2OH and Li2OH+.

J Phys Chem A 2008 Apr 28;112(14):3248-52. Epub 2008 Feb 28.

Department of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland.

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April 2008

Ab initio prediction of the potential energy surface and vibration-rotation energy levels of CaCl2.

Authors:
Jacek Koput

J Phys Chem A 2008 Mar 22;112(12):2743-6. Epub 2008 Feb 22.

Department of Chemistry, Adam Mickiewicz University, 60-780 Poznań, Poland.

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March 2008

Effect of hydroxylic solvent on the fluorescence behavior of some bioactive 9-oxo-imidazo[1,2-a]purine derivatives.

J Phys Chem A 2006 Sep;110(38):11025-33

Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznan, Poland.

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September 2006

Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH2.

J Chem Phys 2006 Jul;125(4):44306

Department of Chemistry, Adam Mickiewicz University, 60-780 Poznań, Poland.

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July 2006

Experimental confirmation of quantum monodromy: the millimeter wave spectrum of cyanogen isothiocyanate NCNCS.

Phys Rev Lett 2005 Dec 5;95(24):243002. Epub 2005 Dec 5.

Department of Physics, The Ohio State University, Columbus, Ohio 43210-1106, USA.

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December 2005

The vibration-rotation emission spectrum of hot BeF2.

J Chem Phys 2005 Oct;123(13):134303

Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada.

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October 2005

Ab initio prediction of the potential energy surface and vibrational-rotational energy levels of calcium dihydride, CaH2.

Authors:
Jacek Koput

J Phys Chem A 2005 May;109(19):4410-4

Department of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland.

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May 2005

Hydrogen-bonded complexes of lumichrome.

J Phys Chem A 2005 Mar;109(9):1785-94

Faculty of Commodity Science, Poznań University of Economics, al. Niepodleglości 10, 60-967 Poznań, Poland.

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March 2005

Ab initio prediction of the potential energy surface and vibrational-rotational energy levels of dialuminum monoxide, Al2O.

J Chem Phys 2004 Jul;121(1):130-5

Faculty of Chemistry, Adam Mickiewicz University, 60-780 Poznan, Poland.

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July 2004

Spectroscopy and photophysics of iso- and alloxazines: experimental and theoretical study.

J Fluoresc 2004 Jan;14(1):57-64

Faculty of Commodity Science, Poznań University of Economics, Poznań, Poland.

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January 2004