PUBLICATIONS 1990-2016
Prof. Dr. Oliver Kühn
Summary
153
21
3
4
2
peer review publications
non-peer review publications
books
edited publications
book reviews
Complete List 2008-2016
174. G. Paramonov, O. Kühn, A. Bandrauk
Shaped Post-Field Electronic Oscillations in H+
2 Excited by Two-Cycle Laser Pulses:
Three-Dimensional Non-Born-Oppenheimer Simulations
Journal of Physical Chemistry A (2016), R. Kosloff Festschrift
173. S. Fischer, O. S. Bokareva, E. Barsch, S. I. Bokarev, O. Kühn, R. Ludwig
Mechanistic Study of Photocatalytic Hydrogen Generation with Simple Iron Carbonyls as Water Reduction Catalysts
ChemCatChem 8, 404-411 (2016)
172. M. Schröter, T. Pullerits, O. Kühn
Unraveling the Quantum State Mixing of Excitonic and Vibronic Excitations in the
Dynamics of Molecular Aggregates
Annalen der Physik 527, 536-545 (2015)
171. S. I. Bokarev, O. S. Bokareva, O. Kühn
A Theoretical Perspective on Charge Transfer in Photocatalysis. The Example of
Ir-based Systems
Coordination Chemistry Reviews 304-305, 133 (2015)
170. G. Grell, S. I. Bokarev, B. Winter, R. Seidel, E. F. Aziz, S. G. Aziz, O. Kühn
Multi-reference approach to the calculation of photoelectron spectra including spinorbit coupling
Journal of Chemical Physics 143, 074104 (2015)
169. S. Chatzipapadopoulos, T. Zentel, R. Ludwig, M. Lütgens, S. Lochbrunner, O.
Kühn
Vibrational Dephasing in Ionic Liquids as a Signature of Hydrogen Bonding
ChemPhysChem 16, 2519 (2015)
168. S. I. Bokarev, M. Khan, M. Abdel-Latif, J. Xiao, R. H. Hilal, S. G. Aziz, E. Aziz,
O. Kühn
Unraveling Electronic Structure of Photocatalytic Manganese Complexes by L-edge
X-ray Spectroscopy
Journal of Physical Chemistry C 119, 19192 (2015)
167. A. El-Amri, S. A. Elroby, O. Kühn, R. H. Hilal
Towards understanding tautomeric switching in 4-hydroxynaphthaldehyde and its
dimers: Characterization of electronic absorption spectra
Journal of Theoretical and Computational Chemistry 14, 1550016 (2015)
166. F. Gottwald, S. D. Ivanov, O. Kühn
Applicability of the Caldeira-Leggett Model to Vibrational Spectroscopy in Solution
Journal of Physical Chemistry Letters 6, 2722-2727 (2015)
165. F. Gottwald, S. Karsten, S. D. Ivanov, O. Kühn
Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations
Journal of Chemical Physics 142, 244110 (2015)
164. O. S. Bokareva, O. Kühn
Quantum Chemical Study of the Electronic Properties of an Iridium-Based Photosensitizer Bound to Medium-Sized Silver Clusters
Chemical Physics 457, 1–6 (2015)
163. A. El-Amri, S. A. Elroby, O. Kühn, R. H. Hilal
Towards understanding tautomeric switching in 4-hydroxynaphthaldehyde and its
dimers: A DFT and quantum topology study
Journal of Theoretical and Computational Chemistry 14, 1550016 (2015)
162. J. Schulze, O. Kühn
Explicit Correlated Exciton-Vibrational Dynamics of the FMO Complex
Journal of Physical Chemistry B 119, 6211–6216 (2015)
161. O. S. Bokareva, G. Grell, S. I. Bokarev, O. Kühn
Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting Systems
Journal of Chemical Theory and Computation 11, 1700–1709 (2015)
160. M. Schröter, S. D. Ivanov, J. Schulze, S. P. Polyutov, Y. Yan, T. Pullerits, O. Kühn
Exciton-Vibrational Coupling in the Dynamics and Spectroscopy of Frenkel Excitons
in Molecular Aggregates
Physics Reports 567, 1-78 (2015)
159. J. Kruse, M. Abraham, W. Amelung, C. Baum, R. Bol, O. Kühn, H. Lewandowski,
J. Niederberger, Y. Oelmann, C. Rüger, J. Santner, M. Siebers, N. Siebers, M.
Spohn, J. Vestergren, A. Vogts, P. Leinweber
Innovative Methods in Soil Phosphorus Research: A Review
Journal of Plant Nutrition and Soil Science 178, 43-88 (2015)
158. S. Wolter, F. Fennel, M. Schröter, J. Schulze, F. Würthner, O. Kühn, S. Lochbrunner
S2 to S1 Relaxation Dynamics in Perylene Bisimide Dye Aggregates and Monomers
Ultrafast Phenomena XIX, K. Yamanouchi, S. Cundiff, R. de Vivie-Riedle, M.
Kuwata-Gonokami, L. DiMauro (eds.), Springer Proceedings in Physics Volume
162, 2015, pp. 459-461
157. F. Kössl, M. Lisaj, V. Kozich, K. Heyne, O. Kühn
Monitoring the alcoholysis of isocyanates with infrared spectroscopy
Chemical Physics Letters 621, 41 (2015)
156. A. A. Ahmed, S. Thiele-Bruhn, S. G. Aziz, R. H. Hilal, S. A. Elroby, A. O. AlYoubi, P. Leinweber, O. Kühn
Interaction of Polar and Nonpolar Organic Pollutants with Soil Organic Matter:
Sorption Experiments and Molecular Dynamics Simulation
Science of the Total Environment 508, 276 (2015)
155. M. Lisaj, O. Kühn
Laser-driven Localization of Collective CO Vibrations in Metal-carbonyl Complexes
Journal of Chemical Physics 141, 204303 (2014)
154. S. Reimann, P. Ehlers, A. Petrosyan, S. Kohse, A. Spannenberg, A. E. Surkus, T.
V. Ghochikyan, A. S. Saghyan, S. Lochbrunner, O. Kühn, R. Ludwig, P. Langer
Five at One Stroke. Site-Selective Synthesis of Pentaarylpyridines via Multiple
Suzuki-Miyaura Cross-Coupling Reactions
Advanced Synthesis and Catalysis 356, 1987 (2014)
153. S. Kummer, W. Ruth, O. Kühn, U. Kragl
Comparison of Electrochemical Oxidation of Flavonols and Calculated Proton Affinity and Electron Transfer Enthalpy in Water
Electroanalysis 26, 910-918 (2014)
152. P.-A. Plötz, T. Niehaus, O. Kühn
A new efficient method for calculation of Frenkel exciton parameters in molecular
aggregates
Journal of Chemical Physics 140, 174101 (2014)
151. A.A. Ahmed, P. Leinweber, O. Kühn
A computational study of hexachlorobenzene-soil organic matter-interactions
Journal of Theoretical and Computational Chemistry 13, 1450009 (2014)
150. J. Schulze, M. Torbjörnsson, O. Kühn, T. Pullerits
Exciton coupling induces vibronic hyperchromism in light-harvesting complexes
New Journal of Physics 16, 045010 (2014)
149. O. S. Bokareva, O. Kühn
DFT-D investigation of the interaction between Ir(III) based photosensitizers and
small silver clusters Agn (n=2–20, 92)
Chemical Physics 435, 40-48 (2014)
148. A. Neubauer, G. Grell, A. Friedrich, S. I. Bokarev, P. Schwarzbach, F. Gärtner,
A.-E. Surkus, H. Junge, M. Beller, O. Kühn, S. Lochbrunner
Electron-and Energy-Transfer Processes in a Photocatalytic System Based on an
Ir(III)-Photosensitizer and an Iron Catalyst
Journal of Physical Chemistry Letters 5, 1355-1360 (2014)
147. S. I. Bokarev, D. Hollmann, A. Pazidis, A. Neubauer, J. Radnik, O. Kühn, S.
Lochbrunner, H. Junge, M. Beller, A. Brückner
Spin density distribution after electron transfer from triethylamine to an [Ir(ppy)2 (bpy)+
photosensitizer during photocatalytic water reduction
Physical Chemistry Chemical Physics 16, 4789-4796 (2014)
146. N. Engel, S. I. Bokarev, E. Suljoti, R. Garcia-Diez, K. M. Lange, K. Atak, R.
Golnak, A. Kothe, M. Dantz, O. Kühn, E. F. Aziz
Chemical Bonding in Aqueous Ferrocyanide: Experimental and Theoretical X-ray
Spectroscopic Study
Journal of Physical Chemistry B 118, 1555-1563 (2014)
145. A.A. Ahmed, O. Kühn, S.G. Aziz, R.H. Hilal, P. Leinweber
How soil organic matter composition controls hexachlorobenzene–soil-interactions:
Adsorption isotherms and quantum chemical modeling
Science of the Total Environment 476, 98-106 (2014)
144. F. Fennel, S. Wolter, Z. Xie, P.-A. Plötz, O. Kühn, F. Würthner, S. Lochbrunner
Biphasic Self-Assembly Pathways and Size-Dependent Photophysical Properties of
Perylene Bisimide Dye Aggregates
Journal of the American Chemical Society 135, 18722 (2013)
143. K. Atak, S. I. Bokarev, M. Gotza, R. Golnak, K. M. Lange, N. Engel, M. Dantz,
E. Suljotia, O. Kühn, E. F. Aziz
The Nature of the Chemical Bond of Aqueous Fe2+ Probed by Soft X-ray Spectroscopies and ab initio Calculations
Journal of Physical Chemistry B 117, 12613 (2013)
142. E. Suljoti, R. Garcia-Diez, S. I. Bokarev, K. M. Lange, R. Schoch, B. Dierker, M.
Dantz, K. Yamamoto, N. Engel, K. Atak, O. Kühn, M. Bauer, J.-E. Rubensson, E.
F. Aziz
Direct Observation of Molecular Orbital Mixing in a Solvated Organometallic Complex
Angewandte Chemie International Edition 52, 9841 (2013)
141. S. I. Bokarev, M. Dantz, E. Suljoti, O. Kühn, E. F. Aziz
State-Dependent Electron Delocalization Dynamics at the Solute-Solvent Interface:
Soft X-ray Absorption Spectroscopy and Ab Initio Calculations
Physical Review Letters 111, 083002 (2013)
140. M. Schröter, O. Kühn
Interplay Between Non-adiabatic Dynamics and Frenkel Exciton Transfer in Molecular Aggregates: Formulation and Application to a Perylene Bismide Model
Journal of Physical Chemistry A 117, 7580 (2013)
139. A. Ahmed, R. Hilal, O. Kühn, M. F. Shibl
Structure and Cooperativity of the Hydrogen Bonds in Sodium Dihydrogen Triacetate
International Journal of Quantum Chemistry 113, 1394 (2013)
138. S. Reimann, L. R. Knöpke, A. Spannenberg, A. Brückner, O. Kühn, P. Langer, U.
Bentrup
Identification of Reaction Intermediates in AlCl3 Mediated Cyclocondensation Reactions by Simultaneous in situ ATR-FTIR and UV-vis Spectroscopy
Tetrahedron 69, 3338 (2013)
137. Y. Yang, O. Kühn
Path Integral Approach to the Calculation of Reaction Rates for a Reaction Coordinate Coupled to a Dual Harmonic Bath
International Journal of Quantum Chemistry 113, 306 (2013), special issue
136. J. Novak, M. Mališ, A. Prlj, I. Ljubic, O. Kühn, N. Došlić
Photoinduced Dynamics of Formic Acid Monomers and Dimers: The Role of the
Double Hydrogen Bond
Journal of Physical Chemistry A 116, 11467 (2012), J. Manz Festschrift
135. D. Ambrosek, A. Köhn, J. Schulze, O. Kühn
Quantum Chemical Parametrization and Spectroscopic Characterization of the Frenkel
Exciton Hamiltonian for a J-aggregate Forming Perylene Bisimide Dye
Journal of Physical Chemistry A 116, 11451 (2012), J. Manz Festschrift
134. G. K. Paramonov, O. Kühn
State-Selective Vibrational Excitation and Dissociation of H+
2 by Strong Infrared
Laser Pulses: Below-Resonant versus Resonant Laser Fields and Electron-Field
Following
Journal of Physical Chemistry A 116, 11388 (2012), J. Manz Festschrift
133. A. Ahmed, O. Kühn, P. Leinweber
Controlled Experimental Soil Organic Matter Modification for Study of Organic
Pollutant Interactions in Soil
Science of the Total Environment 441, 151 (2012)
132. S. Wolter, J. Aizezers, F. Fennel, M. Seidel, F. Würthner, O. Kühn, S. Lochbrunner
Size dependent exciton dynamics in one-dimensional perylene bisimide aggregates
New Journal of Physics 14, 105027 (2012)
131. C. Roth, S. Chatzipapadopoulos, D. Kerlé, F. Friedriszik, M. Lütgens, S. Lochbrunner, O. Kühn, R. Ludwig
Hydrogen Bonding in Ionic Liquids Probed by Linear and Nonlinear Vibrational
Spectroscopy
New Journal of Physics 14, 105026 (2012)
130. Y. Yan, O. Kühn
Laser Control of Dissipative Two-Exciton Dynamics in MolecularAggregates
New Journal of Physics 14, 105004 (2012)
129. S. I. Bokarev, O. S. Bokareva, O. Kühn
Electronic excitation spectra of the photosensitizer [Ir(ppy)2 (bpy)]+
Journal of Chemical Physics 136, 214305 (2012)
128. O. S. Bokareva , S. I. Bokarev, O. Kühn
Electronic excitation spectra of the [Ir(ppy)2 (bpy)]+ photosensitizer bound to small
silver clusters Agn (n=1–6)
Physical Chemistry Chemical Physics 14, 4977 (2012)
127. S. Polyutov, O. Kühn, T. Pullerits
Exciton-vibrational coupling in molecular aggregates: Electronic versus vibronic
dimer
Chemical Physics 394, 21 (2012)
126. O. Kühn, S. Lochbrunner
Quantum Dynamics and Spectroscopy of Excitons in Molecular Aggregates
Semiconductors and Semimetals 85, 47 (2011)
125. O. Kühn, Y. Yan
Simulation of Nonlinear Infrared Spectroscopy of Hydrogen-Bonded Systems Using
Classical Trajectories
Bunsen-Magazin 13, 198 (2011)
124. D. Ambrosek, H. Marciniak, S. Lochbrunner, J. Tatchen, X.-Q. Li, F. Würthner,
O. Kühn
Photophysical and Quantum Chemical Study on a J-Aggregate Forming Perylene
Bisimide Monomer
Physical Chemistry Chemical Physics 13, 17549 (2011)
123. N. Došlić, M. K. Abdel-Latif, O. Kühn
Laser Control of Single and Double Proton Transfer Reactions
Acta Chimica Slovenica 58, 411 (2011), D. Hadži Festschrift
122. M. K. Abdel-Latif, O. Kühn
Carbonyl Vibrational Wave Packet Circulation in Mn2 (CO)10 Driven by Ultrashort
Polarized Laser Pulses
Journal of Chemical Physics 135, 084314 (2011)
121. Y. Yan, O. Kühn
Unraveling the Correlated Dynamics of the Double Hydrogen Bonds of Nucleic Acid
Base Pairs in Solution
Journal of Physical Chemistry B 115, 5254 (2011)
120. G. K. Paramonov, A. D. Bandrauk, O. Kühn
Long-range Energy Transfer and Ionization in Extended Quantum Systems Driven
by Ultrashort Spatially Shaped Laser Pulses
Physical Chemistry Chemical Physics 13, 8637 (2011)
119. Y. Yang, O. Kühn
H/D Isotope Effects on the Geometry and Infrared Spectrum of the Protonated
Ammonia Dimer
Chemical Physics Letters 505, 1 (2011)
118. G. K. Paramonov, O. Kühn, A. D. Bandrauk
Energy Transfer Among Distant Quantum Systems in Spatially Shaped LaserFields:
Two H Atoms With the Internuclear Separation of 5.29 nm (100 a.u.)
Physical Review A 83, 013418 (2011)
117. M. Abdel-Latif, O. Kühn
Laser Control of Double Proton Transfer in Porphycenes. Towards an Ultrafast
Switch for Photonic Molecular Wires
Theoretical Chemistry Accounts 128, 307 (2011)
116. Y. Yan, O. Kühn
Vibrational Dynamics of the Double Hydrogen Bonds in Nucleic Acid Base Pairs
in “Excited-State Hydrogen Bonding and Hydrogen Transfer”, Ke-Li Han and
Guang-Jiu Zhao (Eds.), John Wiley Sons, 2010, p. 1
115. Y. Yan, O. Kühn
Geometric Correlations and Infrared Spectrum of the Adenine-Uracil Hydrogen Bonds
in CDCl3 Solution
Physical Chemistry Chemical Physics 12, 15695 (2010)
114. O. Kühn
Moleküle in Bewegung
Traditio et Innovatio, Heft 3, S. 10 (2010)
113. A. Accardi, I. Barth, O. Kühn, J. Manz
From Synchronous to Sequential Double Proton Transfer: Quantum Dynamics Simulations for the Model Porphine
Journal of Physical Chemistry A 114, 11252 (2010)
112. Y. Yan, M. Petković, G. M. Krishnan, O. Kühn
IR Spectrum of the O-H...O Hydrogen Bond of Phthalic Acid Monomethylester in
Gas Phase and in CCl4 Solution
Journal of Molecular Structure 972, 68 (2010)
111. O. Kühn, J. Manz, A. Schild
Quantum Effects of Translational Motions in Solid para-Hydrogen and ortho-Deuterium:
Anharmonic Extension of the Einstein Model
Journal of Physics: Condensed Matter 22, 135401(1-8) (2010)
110. M. Abdel-Latif, O. Kühn
Infrared Laser Driven Double Proton Transfer. An Optimal Control Theory Study
Chemical Physics 268, 76 (2010)
109. O. Kühn, S. Lochbrunner
Ultrafast Spectroscopy
in “Encyclopedia of Applied Spectroscopy”, D. L. Andrews (ed.), Wiley-VCH,
Berlin, 2009, p. 769
108. O. Kühn, N. Došlić, G. M. Krishnan, H. Fidder, K. Heyne
Anharmonic Vibrational Dynamics in DNA Oligomers
in “Energy Transfer Dynamics Biomaterial Systems”, I. Burghardt, V. May, D. A.
Micha, E. R. Bittner (eds.), Springer Series in Chemical Physics Vol. 93, Springer,
Heidelberg, 2009, p. 141
107. A. Accardi, A. Borowski, O. Kühn
Nonadiabatic Dynamics and Laser Control of Br2 in Solid Argon
Journal of Physical Chemistry A 113, 7491 (2009)
106. O. Kühn
Laser Driven Dynamics and Quantum Control of Molecular Wave Packets
in “Multidimensional Quantum Dynamics: MCTDH Theory and Applications”,
H.-D. Meyer, F. Gatti, G.A. Worth (eds.), Wiley-VCH, Weinheim, 2009, p. 335
105. J. M. Lopez del Amo, U. Langer, V. Torres, M. Pietrzak, G. Buntkowsky, H.-M.
Vieth, M. F. Shibl, O. Kühn, M. Bröring, H.-H. Limbach
Isotope and Phase Effects on the Proton Tautomerism in Polycrystalline Porphycene
Revealed by NMR
Journal of Physical Chemistry A 113, 2193 (2009)
104. M. Ibrahim, O. Kühn, T. Scheytt
Molecular Spectroscopic Study of Water Hyacinth Dry Matter
Open Chemical Physics Journal 2, 1 (2009)
103. Y. Yang, O. Kühn
A Concise Method for Kinetic Energy Quantisation
Molecular Physics 106, 2445 (2008)
102. Y. Yang, O. Kühn, G. Santambrogio, D. J. Goebbert, K. R. Asmis
Vibrational Signatures of Hydrogen Bonding in the Protonated Ammonia Clusters
NH+
4 (NH3 )1−4
Journal of Chemical Physics 129, 224302 (2008)
101. Y. Yan, G. M. Krishnan, O. Kühn
QM/MM Lineshape Simulation of the Hydrogen-bonded Uracil NH Stretching Vibration of the Adenine:Uracil Base Pair in CDCl3
Chemical Physics Letters 464, 230 (2008)
100. Y. Yang, O. Kühn
A Full-dimensional Quantum Dynamical Study of the Vibrational Ground State of
H3 O−
2 and its Isotopomers
Zeitschrift für Physikalische Chemie 222, 1375 (2008), H.-H. Limbach Festschrift
99. K. Heyne, G. M. Krishnan, O. Kühn
Revealing Anharmonic Couplings and Energy Relaxation in DNA Oligomers by Ultrafast Infrared Spectroscopy
Journal of Physical Chemistry B 112, 7909 (2008)
98. A. Borowski, O. Kühn
Nonadiabatic Quantum Dynamics of Br2 in Solid Ar: A Four-dimensional Study of
the B to C State Predissociation
Chemical Physics 347, 523 (2008), special issue
97. V. May, O. Kühn
Photoinduced Removal of the Franck-Condon Blockade in Single Electron Inelastic
Charge Transmission
Nano Letters 8, 1095 (2008)
96. V. May, O. Kühn
Optical Field Control of Charge Transmission Through a Molecular Wire: II. Photoinduced Removal of the Franck-Condon Blockade
Physical Review B 77, 115440 (2008)
95. V. May, O. Kühn
Optical Field Control of Charge Transmission Through a Molecular Wire: I. Generalized Master Equation Description
Physical Review B 77, 115439 (2008)
EXTRA
Charge and Energy Transfer Dynamics in Molecular Systems
3rd Revised and Enlarged Edition
V. May, O. Kühn
Wiley–VCH, Weinheim, 2011 (562 pages).
L. González, O. Kühn, P. Saalfrank (eds.)
Jörn Manz Festschrift
The Journal of Physical Chemistry A 116, No. 46 (2012)

Men (Summary)