List of works - Jacek Koput

Ab Initio Ground-State Potential Energy Function and Vibration-Rotation Energy Levels of Aluminum Monohydride

scientific article published on 13 July 2019

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

scientific article published on 01 February 2010

Ab initio characterization of the Mg–HF van der Waals complex ⬇️

scientific article published on October 28, 2010

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

scientific article published on 28 April 2015

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

scientific article published on September 2013

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

scientific article

Ab initio potential energy surface and vibration-rotation energy levels of germanium dicarbide, GeC2

scientific article published on 05 March 2018

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

scientific article published in June 2013

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

scientific article published on 02 August 2016

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

scientific article published on 28 February 2017

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

scientific article published on 01 July 2006

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

scientific article

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

scientific article published on May 2005

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

scientific article published in July 2004

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

scientific article published on 28 February 2008

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

scientific article published on 01 May 2010

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

scientific article published on 07 October 2015

Ab initio structure and vibration-rotation dynamics of germylene, GeH2

scientific article published on 02 May 2019

Ab initio structure and vibration-rotation dynamics of the formyl and isoformyl cations, HCO+/HOC

scientific article published on 01 April 2019

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

scientific article published on October 2008

Accurate ab initio potential energy surface and vibration‐rotation energy levels of hydrogen peroxide ⬇️

scientific article published on October 10, 2012

Acid–Base Equilibriums of Lumichrome and its 1-Methyl, 3-Methyl, and 1,3-Dimethyl Derivatives

scientific article published on 10 July 2012

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

scientific article published on 6 April 2010

Computational and experimental study of charge distribution in the α-disulfonyl carbanions

scientific article

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

scientific article published on 01 September 2006

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

scientific article

Electronic structure of isoalloxazines in their ground and excited states

Electronic structure of lumiflavin and its analogues in their ground and excited states

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

scientific article published on 05 December 2005

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

scientific article published on 23 January 2017

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.

scientific article published on 23 July 2008

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

scientific article published on 07 February 2012

Hydrogen-Bonded Complexes of Lumichrome

scientific article published on 01 March 2005

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

scientific article published on 25 November 2010

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

scientific article published on 19 May 2011

Novel chiral pyromellitdiimide (1,2,4,5-benzenetetracarboxydiimide) dimers and trimers: exploring their structure, electronic transitions, and exciton coupling

scientific article published in June 2002

Photophysics of 1-methyllumichrome

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

scientific article published on 05 June 2014

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

scientific article published on 26 May 2018

Spectroscopy and Photophysics of Lumiflavins and Lumichromes

Spectroscopy and photophysics of 6,7-dimethyl-alloxazine: experimental and theoretical study

Spectroscopy and photophysics of 9-methylalloxazine. Experimental and theoretical study

Spectroscopy and photophysics of cyanoalloxazines. Theoretical study

Spectroscopy and photophysics of dimethyl-substituted alloxazines

Spectroscopy and photophysics of flavin related compounds: Riboflavin and iso-(6,7)-riboflavin

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

scientific article published in January 2004

Spectroscopy and photophysics of mono methyl-substituted alloxazines

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

scientific article published on December 28, 2011

The computational study of the complex between 4-nitrophenyl[bis(methylsulfonyl)]methane and TBD base in acetonitrile and tetrahydrofuran solution

scientific article

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

scientific article published on 13 October 2011

The vibration-rotation emission spectrum of hot BeF2

scientific article published on 01 October 2005

Unusual emission properties of the selected organosilicon compounds containing a styryl-carbazole chromophore: inversion of the singlet excited states.

scientific article published on 24 April 2017

Variational calculation of highly excited rovibrational energy levels of H2O2

scientific article published on 09 May 2013

Why does the presence of silicon atoms improve the emission properties of biphenyl derivatives? - Verification of various hypotheses by experiment and theory

scientific article published on 01 September 2019

List of works by Jacek Koput

Ab Initio Ground-State Potential Energy Function and Vibration-Rotation Energy Levels of Aluminum Monohydride

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

Ab initio characterization of the Mg–HF van der Waals complex ⬇️

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

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

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

Ab initio potential energy surface and vibration-rotation energy levels of germanium dicarbide, GeC2

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

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

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

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

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

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

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

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

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

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

Ab initio structure and vibration-rotation dynamics of germylene, GeH2

Ab initio structure and vibration-rotation dynamics of the formyl and isoformyl cations, HCO+/HOC

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

Accurate ab initio potential energy surface and vibration‐rotation energy levels of hydrogen peroxide ⬇️

Acid–Base Equilibriums of Lumichrome and its 1-Methyl, 3-Methyl, and 1,3-Dimethyl Derivatives

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

Computational and experimental study of charge distribution in the α-disulfonyl carbanions

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

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

Electronic structure of isoalloxazines in their ground and excited states

Electronic structure of lumiflavin and its analogues in their ground and excited states

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

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

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.

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

Hydrogen-Bonded Complexes of Lumichrome

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

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

Novel chiral pyromellitdiimide (1,2,4,5-benzenetetracarboxydiimide) dimers and trimers: exploring their structure, electronic transitions, and exciton coupling

Photophysics of 1-methyllumichrome

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

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

Spectroscopy and Photophysics of Lumiflavins and Lumichromes

Spectroscopy and photophysics of 6,7-dimethyl-alloxazine: experimental and theoretical study

Spectroscopy and photophysics of 9-methylalloxazine. Experimental and theoretical study

Spectroscopy and photophysics of cyanoalloxazines. Theoretical study

Spectroscopy and photophysics of dimethyl-substituted alloxazines

Spectroscopy and photophysics of flavin related compounds: Riboflavin and iso-(6,7)-riboflavin

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

Spectroscopy and photophysics of mono methyl-substituted alloxazines

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

The computational study of the complex between 4-nitrophenyl[bis(methylsulfonyl)]methane and TBD base in acetonitrile and tetrahydrofuran solution

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

The vibration-rotation emission spectrum of hot BeF2

Unusual emission properties of the selected organosilicon compounds containing a styryl-carbazole chromophore: inversion of the singlet excited states.

Variational calculation of highly excited rovibrational energy levels of H2O2

Why does the presence of silicon atoms improve the emission properties of biphenyl derivatives? - Verification of various hypotheses by experiment and theory

X-ray, FT-IR and PM3 studies of hydrogen bonds in complexes of some pyridines with trifluoroacetic acid