List of works - Andrzej L. Sobolewski

7-Hydroxyquinoline-8-carbaldehydes. 1. Ground- and excited-state long-range prototropic tautomerization.

scientific article

7-Hydroxyquinoline-8-carbaldehydes. 2. Prototropic equilibria.

scientific article published on 11 September 2013

A bistable molecular switch driven by photoinduced hydrogen-atom transfer.

scientific article published in September 2009

A computational study on the mechanism of intramolecular oxo-hydroxy phototautomerism driven by repulsive pi sigma* state

scientific article published on 01 December 2008

A novel tibial tuberosity advancement technique with cranial implant fixation (TTA CF): a pilot study in sheep

scientific article published on 02 August 2018

Ab initio characterization of the conical intersections involved in the photochemistry of phenol.

scientific article

Ab initio investigations on the photophysics of indole

scholarly article

Ab initio studies on the radiationless decay mechanisms of the lowest excited singlet states of 9H-adenine

scientific article

Ab initio study of excited-state intramolecular proton dislocation in salicylic acid

scholarly article

Ab initio study of the excited-state deactivation pathways of protonated tryptophan and tyrosine

scientific article published on 21 April 2007

Aggregation controlled photoluminescence of hexaazatri-naphthylene (HATN) - an experimental and theoretical study

scientific article published on 30 June 2020

An Ab initio study on the photophysics of tris(salicylideneaniline)

scientific article published on 01 October 2018

Biradicalic excited states of zwitterionic phenol-ammonia clusters.

scientific article published in January 2009

Brain tissue oxygenation during transnasal endoscopic skull base procedures

scientific article published on 30 April 2020

Characterization of theS1–S2conical intersection in pyrazine usingabinitiomulticonfiguration self‐consistent‐field and multireference configuration‐interaction methods

Chemical Reactivity in the Ground and the Excited State

Chemistry. Unraveling the molecular mechanisms of photoacidity

scientific article published on 01 December 2003

Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study

scientific article published in May 2010

Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex.

scientific article

Computational model of photocatalytic water splitting.

scientific article published on 22 July 2008

Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters

scientific article published on 29 May 2007

Computational studies of the photophysics of hydrogen-bonded molecular systems

scientific article published on 17 October 2007

Computational studies of the photophysics of neutral and zwitterionic amino acids in an aqueous environment: tyrosine-(H(2)O)(2) and tryptophan-(H(2)O)(2) clusters.

scientific article

Computational study on the photophysics of protonated benzene.

scientific article published in May 2009

Conical intersections in thymine

scientific article published on 01 December 2006

Conical-Intersection Topographies Suggest That Ribose Exhibits Enhanced UV Photostability

scientific article published on 07 October 2016

Contacts for organic switches with carbon-nanotube leads ⬇️

scientific article published on 26 May 2015

Cover Feature: Solar Energy Harvesting with Carbon Nitrides and N‐Heterocyclic Frameworks: Do We Understand the Mechanism? (ChemPhotoChem 1/2019)

scholarly article

Effect of chemical substituents on the energetical landscape of a molecular photoswitch: an ab initio study

scientific article published on November 2010

Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods.

scientific article published in February 2014

Effect of conformational flexibility on photophysics of bis-coumarins

scientific article published on 01 May 2018

Efficient deactivation of a model base pair via excited-state hydrogen transfer.

scientific article published in December 2004

Efficient excited-state deactivation of the Gly-Phe-Ala tripeptide via an electron-driven proton-transfer process

scientific article published on 01 February 2009

Electric field control of proton-transfer molecular switching: molecular dynamics study on salicylidene aniline.

scientific article published in June 2015

Electronic spectra and reversible photoisomerization of protonated naphthalenes in solid neon.

scientific article published on 4 January 2013

Electronically excited states and photochemical reaction mechanisms of β-glucose.

scientific article published in January 2014

Environment-Sensitive Behavior of DCNP in Solvents with Different Viscosity, Polarity and Proticity.

scientific article published on 4 September 2015

Evaluation, Description of the Technique, and Clinical Outcomes After Tibial Tuberosity Advancement With Cranial Fixation (TTA CF) for Cranial Cruciate Ligament Rupture in 22 Dogs

scientific article published on 24 July 2018

Excited-state intramolecular proton transfer: photoswitching in salicylidene methylamine derivatives.

scientific article published on 29 April 2014

Ferroelectric molecular field-switch based on double proton transfer process: Static and dynamical simulations

scientific article published in April 2016

Flicker Test as a Load Measurement During the Combined Effect of Heat and Noise

scientific article published on 01 January 1995

Franck-Condon analysis of laser-induced fluorescence excitation spectrum of anthranilic acid: evaluation of geometry change upon S(0) --> S(1) excitation.

scientific article

Glycine in an Electronically Excited State: Ab Initio Electronic Structure and Dynamical Calculations

scientific article published on 27 May 2007

Highly Polarized Coumarin Derivatives Revisited: Solvent-controlled Competition Between Proton Coupled Electron Transfer and Twisted Intramolecular Electron Transfer

scientific article published on 25 March 2020

Hydrogen transfer in excited pyrrole-ammonia clusters.

scientific article

Longitudinal changes in critical flicker fusion frequency: an indicator of human workload

scientific article published on 01 December 2005

Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine-Water Complex.

scientific article published on 7 June 2017

Mechanism of photocatalytic water splitting with triazine-based carbon nitrides: insights from ab initio calculations for the triazine-water complex

scientific article published on 01 May 2018

Mechanisms of photoreactivity in hydrogen-bonded adenine-H2O complexes

scientific article published on 01 July 2019

Mechanisms of photostability in kynurenines: a joint electronic-structure and dynamics study

scientific article published on 01 August 2014

Mechanisms of ultrafast excited-state deactivation in adenosine.

scientific article published on 18 December 2013

Molecular Design of Heptazine-based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability

scientific article published on 21 April 2020

Molecular mechanisms of the photostability of life

scientific article published on 01 May 2010

Molecular mechanisms of the photostability of indigo

scientific article published on 09 December 2010

Multipeak negative differential resistance from interplay between nonlinear stark effect and double-branch current flow

scientific article published in 2014

Narrowing of the middle cerebral artery: artificial intelligence methods and comparison of transcranial color coded duplex sonography with conventional TCD.

scientific article published in January 2010

Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods.

scientific article published on 12 July 2017

Nonradiative decay mechanisms of the biologically relevant tautomer of guanine.

scientific article published in November 2008

On the nature and signatures of the solvated electron in water.

scientific article

On the origin of fluorescence emission in optically non-linear DCNP crystals

scientific article published on 01 December 2014

On the origin of radiationless transitions in porphycenes

scientific article published on 01 July 2009

Onset of the Electronic Absorption Spectra of Isolated and π-Stacked Oligomers of 5,6-Dihydroxyindole: An Ab Initio Study of the Building Blocks of Eumelanin

scientific article published on 22 March 2016

Operative field temperature during transnasal endoscopic cranial base procedures

scientific article published on 15 March 2013

Organic photovoltaics without p-n junctions: a computational study of ferroelectric columnar molecular clusters

scientific article published on 22 July 2015

Peptide deactivation: Spectroscopy meets theory

scientific article published on 01 April 2013

Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study.

scientific article

Photochemical mechanisms of radiationless deactivation processes in urocanic acid

scientific article

Photochemistry of 2-Aminooxazole, a Hypothetical Prebiotic Precursor of RNA Nucleotides

scientific article published on 6 August 2013

Photochemistry of Mcl(H2O)4, M = H, Li, Na clusters: finite-size models of the photodetachment of the chloride anion in salt solutions.

scientific article published in March 2005

Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex

scholarly article

Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections

scientific article published in October 2005

Photochemistry of the water dimer: time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection

scientific article published on 01 October 2009

Photochemistry of water: the (H2O)5 cluster

scientific article published on 01 May 2005

Photodynamics of alternative DNA base isoguanine

scientific article published on 01 June 2019

Photoejection of electrons from pyrrole into an aqueous environment: ab initio results on pyrrole-water clusters

scholarly article

Photoinduced Electron and Proton Transfer in the Hydrogen-Bonded Pyridine−Pyrrole System

scientific article published on 16 May 2007

Photoinduced oxidation of water in the pyridine-water complex: comparison of the singlet and triplet photochemistries

scientific article published on 28 August 2014

Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study

scientific article published on 26 May 2020

Photoinduced water splitting with oxotitanium porphyrin: a computational study

scientific article published on 01 October 2012

Photoinduced water splitting with oxotitanium tetraphenylporphyrin.

scientific article published on 18 June 2014

Photoisomerizations of N4-hydroxycytosines

scientific article published on 01 April 2006

Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry

scientific article published on 01 September 2020

Photophysical transformations induced by chemical substitution to salicylaldimines

scientific article published on 01 March 2020

Photophysics of Schiff bases: theoretical study of salicylidene methylamine

scientific article published on 13 November 2012

Photophysics of eumelanin: ab initio studies on the electronic spectroscopy and photochemistry of 5,6-dihydroxyindole

scientific article published on 01 April 2007

Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations.

scientific article published on 10 January 2012

Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid

scientific article published on 15 June 2006

Photophysics of organic photostabilizers. Ab initio study of the excited-state deactivation mechanisms of 2-(2'-hydroxyphenyl)benzotriazole

scientific article published on 01 May 2006

Photophysics of xanthine: computational study of the radiationless decay mechanisms

scientific article published on 21 September 2009

Potential-energy function for intramolecular proton transfer in the malonaldehyde cation ⬇️

scholarly article

Proton-Coupled Electron Transfer from Water to a Model Heptazine-Based Molecular Photocatalyst

scientific article published on 18 October 2018

Relevance of electron-driven proton-transfer processes for the photostability of proteins.

scientific article published in March 2006

Resonance Raman spectrum of the solvated electron in methanol: simulation within a cluster model

scientific article published on May 2006

Reversible molecular switch driven by excited-state hydrogen transfer

scientific article published on 15 January 2008

Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair

scientific article published on 01 July 2006

Role of excited-state hydrogen detachment and hydrogen-transfer processes for the excited-state deactivation of an aromatic dipeptide: N-acetyl tryptophan methyl amide.

scientific article published in March 2010

Role of the Pyridinyl Radical in the Light-Driven Reduction of Carbon Dioxide: A First-Principles Study

scientific article published on 18 April 2019

Role of the intermolecular vibrations in the hydrogen transfer rate: the 3-methylindole-NH3 complex

scientific article published on 01 August 2006

Sequential electron transfer governs the UV-induced self-repair of DNA photolesions.

scientific article

Single-stage Bilateral Tibial Tuberosity Advancement With Cranial Fixation in an English Bulldog - A Case Report

scientific article published on 29 July 2018

Singlet-Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides

scientific article published on 12 September 2019

Solar Energy Harvesting with Carbon Nitrides: Do We Understand the Mechanism?

Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purines

scientific article published in 2014

Substituent effects on the photophysical properties of tris(salicylideneanilines)

scientific article published on 22 December 2020

Switching the conductance of a molecular junction using a proton transfer reaction ⬇️

scientific article published on 16 March 2014

Tailoring the Schiff base photoswitching - a non-adiabatic molecular dynamics study of substituent effect on excited state proton transfer.

scientific article published on 3 February 2017

Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: the role of electron-driven proton-transfer processes.

scientific article

The Coumarin-Dimer Spring-The Struggle between Charge Transfer and Steric Interactions.

scientific article published on 13 May 2017

The Interplay between Solvation and Stacking of Aromatic Rings Governs Bright and Dark Sites of Benzo[g]coumarins

scientific article published on 04 November 2019

The mechanism of excited-state hydrogen transfer in 2-hydroxypyridine ⬇️

scholarly article

The synthesis and photophysical properties of tris-coumarins

scientific article published on 01 April 2019

Thioperoxy derivative generated by UV-induced transformation of N-hydroxypyridine-2(1H)-thione isolated in low-temperature matrixes.

scientific article

Tibial Diaphyseal Fracture as a Major Complication of Tibial Tuberosity Advancement With Cranial Fixation (TTA CF)-A Case Report

scientific article published on 07 December 2018

Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol

scientific article published in June 2005

Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of pyrrole.

scientific article published in January 2004

Tracking both ultrafast electrons and nuclei

scientific article

Ultrafast dynamics of the ESIPT photoswitch N-(3-pyridinyl)-2-pyridinecarboxamide.

scientific article published on 10 January 2018

List of works by Andrzej L. Sobolewski

7-Hydroxyquinoline-8-carbaldehydes. 1. Ground- and excited-state long-range prototropic tautomerization.

7-Hydroxyquinoline-8-carbaldehydes. 2. Prototropic equilibria.

A bistable molecular switch driven by photoinduced hydrogen-atom transfer.

A computational study on the mechanism of intramolecular oxo-hydroxy phototautomerism driven by repulsive pi sigma* state

A novel tibial tuberosity advancement technique with cranial implant fixation (TTA CF): a pilot study in sheep

Ab initio characterization of the conical intersections involved in the photochemistry of phenol.

Ab initio investigations on the photophysics of indole

Ab initio studies on the radiationless decay mechanisms of the lowest excited singlet states of 9H-adenine

Ab initio study of excited-state intramolecular proton dislocation in salicylic acid

Ab initio study of the excited-state deactivation pathways of protonated tryptophan and tyrosine

Aggregation controlled photoluminescence of hexaazatri-naphthylene (HATN) - an experimental and theoretical study

An Ab initio study on the photophysics of tris(salicylideneaniline)

Biradicalic excited states of zwitterionic phenol-ammonia clusters.

Brain tissue oxygenation during transnasal endoscopic skull base procedures

Characterization of theS1–S2conical intersection in pyrazine usingabinitiomulticonfiguration self‐consistent‐field and multireference configuration‐interaction methods

Chemical Reactivity in the Ground and the Excited State

Chemistry. Unraveling the molecular mechanisms of photoacidity

Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study

Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex.

Computational model of photocatalytic water splitting.

Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters

Computational studies of the photophysics of hydrogen-bonded molecular systems

Computational studies of the photophysics of neutral and zwitterionic amino acids in an aqueous environment: tyrosine-(H(2)O)(2) and tryptophan-(H(2)O)(2) clusters.

Computational study on the photophysics of protonated benzene.

Conical intersections in thymine

Conical-Intersection Topographies Suggest That Ribose Exhibits Enhanced UV Photostability

Contacts for organic switches with carbon-nanotube leads ⬇️

Cover Feature: Solar Energy Harvesting with Carbon Nitrides and N‐Heterocyclic Frameworks: Do We Understand the Mechanism? (ChemPhotoChem 1/2019)

Effect of chemical substituents on the energetical landscape of a molecular photoswitch: an ab initio study

Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods.

Effect of conformational flexibility on photophysics of bis-coumarins

Efficient deactivation of a model base pair via excited-state hydrogen transfer.

Efficient excited-state deactivation of the Gly-Phe-Ala tripeptide via an electron-driven proton-transfer process

Electric field control of proton-transfer molecular switching: molecular dynamics study on salicylidene aniline.

Electronic spectra and reversible photoisomerization of protonated naphthalenes in solid neon.

Electronically excited states and photochemical reaction mechanisms of β-glucose.

Environment-Sensitive Behavior of DCNP in Solvents with Different Viscosity, Polarity and Proticity.

Evaluation, Description of the Technique, and Clinical Outcomes After Tibial Tuberosity Advancement With Cranial Fixation (TTA CF) for Cranial Cruciate Ligament Rupture in 22 Dogs

Excited-state intramolecular proton transfer: photoswitching in salicylidene methylamine derivatives.

Ferroelectric molecular field-switch based on double proton transfer process: Static and dynamical simulations

Flicker Test as a Load Measurement During the Combined Effect of Heat and Noise

Franck-Condon analysis of laser-induced fluorescence excitation spectrum of anthranilic acid: evaluation of geometry change upon S(0) --> S(1) excitation.

Glycine in an Electronically Excited State: Ab Initio Electronic Structure and Dynamical Calculations

Highly Polarized Coumarin Derivatives Revisited: Solvent-controlled Competition Between Proton Coupled Electron Transfer and Twisted Intramolecular Electron Transfer

Hydrogen transfer in excited pyrrole-ammonia clusters.

Longitudinal changes in critical flicker fusion frequency: an indicator of human workload

Mechanism of Photocatalytic Water Splitting with Graphitic Carbon Nitride: Photochemistry of the Heptazine-Water Complex.

Mechanism of photocatalytic water splitting with triazine-based carbon nitrides: insights from ab initio calculations for the triazine-water complex

Mechanisms of photoreactivity in hydrogen-bonded adenine-H2O complexes

Mechanisms of photostability in kynurenines: a joint electronic-structure and dynamics study

Mechanisms of ultrafast excited-state deactivation in adenosine.

Molecular Design of Heptazine-based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability

Molecular mechanisms of the photostability of life

Molecular mechanisms of the photostability of indigo

Multipeak negative differential resistance from interplay between nonlinear stark effect and double-branch current flow

Narrowing of the middle cerebral artery: artificial intelligence methods and comparison of transcranial color coded duplex sonography with conventional TCD.

Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods.

Nonradiative decay mechanisms of the biologically relevant tautomer of guanine.

On the nature and signatures of the solvated electron in water.

On the origin of fluorescence emission in optically non-linear DCNP crystals

On the origin of radiationless transitions in porphycenes

Onset of the Electronic Absorption Spectra of Isolated and π-Stacked Oligomers of 5,6-Dihydroxyindole: An Ab Initio Study of the Building Blocks of Eumelanin

Operative field temperature during transnasal endoscopic cranial base procedures

Organic photovoltaics without p-n junctions: a computational study of ferroelectric columnar molecular clusters

Peptide deactivation: Spectroscopy meets theory

Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study.

Photochemical mechanisms of radiationless deactivation processes in urocanic acid

Photochemistry of 2-Aminooxazole, a Hypothetical Prebiotic Precursor of RNA Nucleotides

Photochemistry of Mcl(H2O)4, M = H, Li, Na clusters: finite-size models of the photodetachment of the chloride anion in salt solutions.

Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex

Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections

Photochemistry of the water dimer: time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection

Photochemistry of water: the (H2O)5 cluster

Photodynamics of alternative DNA base isoguanine

Photoejection of electrons from pyrrole into an aqueous environment: ab initio results on pyrrole-water clusters

Photoinduced Electron and Proton Transfer in the Hydrogen-Bonded Pyridine−Pyrrole System

Photoinduced oxidation of water in the pyridine-water complex: comparison of the singlet and triplet photochemistries

Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study

Photoinduced water splitting with oxotitanium porphyrin: a computational study