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J. Koput · SciRah

Researcher profile · Semantic Scholar

J. Koput

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J. Koput — researcher profile on SciRah

h-index: 27
Works: 215
Citations: 3,143

Most-cited papers

Spectroscopy and Photophysics of Lumiflavins and Lumichromes
E. Sikorska, I. Khmelinskii, W. Prukała, Siân L. Williams +5 more
2004127 citations
Semantic Scholar
Spectroscopy and photophysics of flavin related compounds: Riboflavin and iso-(6,7)-riboflavin
E. Sikorska, I. Khmelinskii, A. Komasa, J. Koput +7 more
200581 citations
Semantic Scholar
Experimental confirmation of quantum monodromy: the millimeter wave spectrum of cyanogen isothiocyanate NCNCS.
B. Winnewisser, M. Winnewisser, I. Medvedev, M. Behnke +3 more
2005Physical Review Letters51 citations Open access
Semantic Scholar
Spectroscopy and Photophysics of Iso- and Alloxazines: Experimental and Theoretical Study
E. Sikorska, I. Khmelinskii, David R. Worrall, J. Koput +1 more
2004Journal of Fluorescence50 citations
Semantic Scholar
Fluorescent H-aggregates of an asymmetrically substituted mono-amino Zn(ii) phthalocyanine.
Małgorzata Bayda, Fabienne Dumoulin, G. Hug, J. Koput +2 more
2017Dalton Transactions47 citations
Semantic Scholar
Acid-base equilibriums of lumichrome and its 1-methyl, 3-methyl, and 1,3-dimethyl derivatives.
D. Prukała, E. Sikorska, J. Koput, I. Khmelinskii +3 more
2012Journal of Physical Chemistry A43 citations
Semantic Scholar
The ground-state potential energy function of a beryllium dimer determined using the single-reference coupled-cluster approach.
J. Koput
2011Physical Chemistry, Chemical Physics - PCCP40 citations
Semantic Scholar
Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH2.
J. Koput, K. Peterson
2006Journal of Chemical Physics39 citations
Semantic Scholar
Accurate ab initio potential energy surface and vibration‐rotation energy levels of hydrogen peroxide
Pawel Malyszek, J. Koput
2013Journal of Computational Chemistry29 citations
Semantic Scholar
Electronic structure of lumiflavin and its analogues in their ground and excited states
E. Sikorska, I. Khmelinskii, J. Koput, M. Sikorski
200428 citations
Semantic Scholar
Hydrogen bond effects in the ground and excited singlet states of 4H-1-benzopyrane-4-thione in water--theory and experiment.
E. Krystkowiak, J. Koput, A. Maciejewski
2012Physical Chemistry, Chemical Physics - PCCP27 citations
Semantic Scholar
Conformational analysis of bis(trigonelline) hydrochloride, perchlorate and their monohydrates by the B3LYP calculations, X-ray diffraction and vibrational spectra
M. Szafran, A. Katrusiak, J. Koput, Z. Dega‐Szafran
200626 citations
Semantic Scholar
Variational calculation of highly excited rovibrational energy levels of H2O2.
O. Polyansky, I. Kozin, R. Ovsyannikov, Pawel Malyszek +3 more
2013Journal of Physical Chemistry A24 citations Open access
Semantic Scholar
Hydrogen-bonded complexes of lumichrome.
E. Sikorska, I. Khmelinskii, M. Kubicki, W. Prukała +5 more
2005Journal of Physical Chemistry A23 citations
Semantic Scholar
X-ray, MP2 and DFT studies of the structure, vibrational and NMR spectra of homarine
M. Szafran, A. Katrusiak, J. Koput, Z. Dega‐Szafran
200722 citations
Semantic Scholar
Crystal and molecular structure, hydrogen bonding and electrostatic interactions of bis(trigonelline) hydrogen perchlorate monohydrate
M. Szafran, A. Katrusiak, J. Koput, Z. Dega‐Szafran
200422 citations
Semantic Scholar
Analysis of the FASSST rotational spectrum of NCNCS in view of quantum monodromy.
B. Winnewisser, M. Winnewisser, I. Medvedev, F. C. De Lucia +2 more
2010Physical Chemistry, Chemical Physics - PCCP21 citations
Semantic Scholar
Spectroscopy and photophysics of dimethyl-substituted alloxazines
M. Sikorski, D. Prukała, Małgorzata Insińska-Rak, I. Khmelinskii +6 more
200821 citations
Semantic Scholar
The ab initio ground-state potential energy function of beryllium monohydride, BeH.
J. Koput
2011Journal of Chemical Physics20 citations
Semantic Scholar
Spectroscopy and photophysics of 6,8-dimethylalloxazine. Experimental and theoretical study
E. Sikorska, I. Khmelinskii, Aneta Bednarek, Siân L. Williams +6 more
200420 citations
Semantic Scholar
Spectroscopy and photophysics of mono methyl-substituted alloxazines
E. Sikorska, I. Khmelinskii, J. Bourdelande, Aneta Bednarek +5 more
200419 citations
Semantic Scholar
Structure of 1-methylpyridinium-4-carboxylate monohydrate studied by X-ray, FT-IR, Raman, NMR and ab initio methods
M. Szafran, E. Bartoszak-Adamska, J. Koput, Z. Dega‐Szafran
200718 citations
Semantic Scholar
Influence of hydrogen bonds and nonspecific interactions on the spectral and photophysical properties of the excited singlet states of 4-aminophthalimide in amine solution.
A. Maciejewski, E. Krystkowiak, J. Koput, Krzysztof Dobek
2011ChemPhysChem17 citations
Semantic Scholar
Photophysical and photochemical properties of the T1 excited state of thioinosine
G. Wenska, J. Koput, G. Burdziński, Katarzyna Taras-Goslinska +1 more
200917 citations
Semantic Scholar
Photophysics of 1-methyllumichrome
E. Sikorska, Igor V. Khemlinskii, David R. Worrall, Siân L. Williams +4 more
200417 citations
Semantic Scholar
X-ray and ab initio studies of the structure and vibrational spectra of 4-carboxy-1-methylpyridinium chloride
M. Szafran, J. Koput, Z. Dega‐Szafran, A. Katrusiak
200616 citations
Semantic Scholar
X-ray and DFT studies of the structure, vibrational and NMR spectra of 2-amino-pyridine betaine hydrochloride
M. Szafran, I. Kowalczyk, J. Koput, A. Katrusiak
200515 citations
Semantic Scholar
X-Ray, MP2 and DFT studies of the structure and vibrational spectra of homarinium chloride
M. Szafran, J. Koput, Z. Dega‐Szafran, A. Katrusiak
200415 citations
Semantic Scholar
Formation of a sandwich-structure assisted, relatively long-lived sulfur-centered three-electron bonded radical anion in the reduction of a bis(1-substituted-uracilyl) disulfide in aqueous solution.
G. Wenska, Piotr Filipiak, K. Asmus, K. Bobrowski +2 more
2008Journal of Physical Chemistry B14 citations
Semantic Scholar
X-ray, DFT, NMR, FTIR and Raman study of 1-methylquinolinium-3-carboxylate monohydrate
P. Barczyński, A. Katrusiak, J. Koput, M. Szafran
200813 citations
Semantic Scholar
Effect of hydroxylic solvent on the fluorescence behavior of some bioactive 9-oxo-imidazo[1,2-a]purine derivatives.
G. Wenska, J. Koput, T. Pędziński, B. Marciniak +2 more
2006Journal of Physical Chemistry A13 citations
Semantic Scholar
Highly accurate HF dimer ab initio potential energy surface.
R. Ovsyannikov, V. Makhnev, N. Zobov, J. Koput +2 more
2022Journal of Chemical Physics11 citations Open access
Semantic Scholar
Ab initio prediction of the structure and energetics of the complexes of 4-nitrophenyl[bis(methylsulfonyl)]methane and TBD base in vacuo and acetonitrile solvent
I. Binkowska, J. Koput, A. Jarczewski
200811 citations
Semantic Scholar
Ab initio prediction of the potential energy surface and vibrational-rotational energy levels of calcium dihydride, CaH2.
J. Koput
2005Journal of Physical Chemistry A11 citations
Semantic Scholar
Spectroscopy and photophysics of 9-methylalloxazine. Experimental and theoretical study
E. Sikorska, I. Khmelinskii, W. Prukała, Siân L. Williams +5 more
200411 citations
Semantic Scholar
Ab initio potential energy surface and vibration‐rotation energy levels of sulfur dioxide
J. Koput
2017Journal of Computational Chemistry10 citations
Semantic Scholar
Ab Initio Potential Energy Surface and Vibration-Rotation Energy Levels of Disilicon Carbide, CSi2
J. Koput
201710 citations
Semantic Scholar
Ab initio ground-state potential energy functions of beryllium monohydride ions: BeH+ and BeH-.
J. Koput
2013Journal of Chemical Physics10 citations
Semantic Scholar
Mechanism and dynamics of intramolecular triplet state decay of 1-propyl-4-thiouracil and its α-methyl-substituted derivatives studied in perfluoro-1,3-dimethylcyclohexane
G. Wenska, Katarzyna Taras-Goslinska, A. Łukaszewicz, G. Burdziński +2 more
2011Photochemical and Photobiological Sciences10 citations
Semantic Scholar
The Millimeter- and Submillimeter-Wave Spectrum of Cyanoformamide
M. Winnewisser, I. Medvedev, F. C. De Lucia, E. Herbst +3 more
200510 citations Open access
Semantic Scholar
Toward Accurate Ab Initio Ground-State Potential Energy and Electric Dipole Moment Functions of Carbon Monoxide
J. Koput
2024Journal of Chemical Theory and Computation8 citations
Semantic Scholar
Ab initio potential energy surface and vibration-rotation energy levels of magnesium monohydroxide revisited
J. Koput
2023Journal of Molecular Spectroscopy8 citations
Semantic Scholar
Ab Initio spectroscopic characterization of borane, BH, in its X1Σ+ electronic state
J. Koput
2015Journal of Computational Chemistry8 citations
Semantic Scholar
Ab initio ground‐state potential energy function and vibration‐rotation energy levels of imidogen, NH
J. Koput
2015Journal of Computational Chemistry8 citations
Semantic Scholar
Ab initio characterization of the Ca-HCl van der Waals complex.
J. Koput, J. Makarewicz
2010Journal of Chemical Physics8 citations
Semantic Scholar
Ab initio prediction of the structure and energetics of the complexes of 1-nitro-1-(4-nitrophenyl)ethane and TBD and MTBD bases
A. Jarczewski, J. Koput, I. Nowak
20068 citations
Semantic Scholar
The vibration-rotation emission spectrum of hot BeF2.
Shan-Shan Yu, A. Shayesteh, P. Bernath, J. Koput
2005Journal of Chemical Physics8 citations
Semantic Scholar
Computational and experimental study of charge distribution in the α-disulfonyl carbanions
I. Binkowska, J. Koput, A. Jarczewski
20147 citations
Semantic Scholar
Ab initio prediction of the potential energy surface and vibrational-rotational energy levels of dialuminum monoxide, Al2O.
J. Koput, A. Gertych
2004Journal of Chemical Physics7 citations
Semantic Scholar
Spectral and photophysical properties of some imidazo[1,2-a]purine derivatives related to acyclovir
G. Wenska, J. Koput, Małgorzata Insińska-Rak, B. Golankiewicz +2 more
20047 citations
Semantic Scholar

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E. Sikorska×11
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I. Khmelinskii×10
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David R. Worrall×8
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J. Bourdelande×7

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A. Katrusiak×7

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Z. Dega‐Szafran×6

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