Werner Reckien

University of Bonn — Germany

Physics and Astronomy · Physical Sciences

18h-index1.4kcitations31works0.52yr avg
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Research Topics

Advanced Chemical Physics Studies(14), Supramolecular Chemistry and Complexes(6), Crystallography and molecular interactions(5), Molecular Junctions and Nanostructures(5), Surface Chemistry and Catalysis(5)

Publications31 total

Building Nanoplastic Models for Molecular Calculations
The Journal of Physical Chemistry B·2026
Building Nanoplastic Models for Molecular Calculations
2025· 1 cited
Benchmarking the Computational Costs and Quality of Vibrational Spectra from Ab Initio Simulations
Advanced Theory and Simulations·2021· 26 citedOpen Access
Predicting Vibrational Spectroscopy for Flexible Molecules and Molecules with Non‐Idle Environments
Advanced Theory and Simulations·2020· 23 citedOpen Access
On the Carbene‐Like Reactions of Imidazolium Acetate Ionic Liquids: Can Theory and Experiments Agree?
European Journal of Organic Chemistry·2018· 25 cited
Theoretical study of the adsorption of benzene on coinage metals
Beilstein Journal of Organic Chemistry·2014· 64 citedOpen Access
Substitution effect and effect of axle’s flexibility at (pseudo-)rotaxanes
Beilstein Journal of Organic Chemistry·2014· 4 citedOpen Access
Structure and Charge Transfer in Binary Ordered Monolayers of Two Sulfur-Containing Donor Molecules and TNAP on the Au(111) Surface
The Journal of Physical Chemistry C·2014· 10 cited
Adsorption height determination of nonequivalent C and O species of PTCDA on Ag(110) using x-ray standing waves
Physical Review B·2013· 54 cited
Role of functional groups in surface bonding of planar<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>π</mml:mi></mml:math>-conjugated molecules
Physical Review B·2012· 69 cited
On the role of halides and thiols in additive-assisted copper electroplating
Electrochimica Acta·2012· 73 cited
Implementation of empirical dispersion corrections to density functional theory for periodic systems
Journal of Computational Chemistry·2012· 178 cited
Competitive anion/anion interactions on copper surfaces relevant for Damascene electroplating
Electrochimica Acta·2012· 71 cited
System‐Dependent Dispersion Coefficients for the DFT‐D3 Treatment of Adsorption Processes on Ionic Surfaces
ChemPhysChem·2011· 462 cited
Tailored Design of Suppressor Ensembles for Damascene and 3D-TSV Copper Plating
ECS Meeting Abstracts·2011· 4 citedOpen Access
Theoretical study of weak chemical interactions in solid formamide
Chemical Physics Letters·2011· 10 cited
Function through Structure: An Atomistic View on Additive Ensemble Effects Relevant for the Damascene Process
ECS Meeting Abstracts·2011Open Access
Adsorptive SPS Dissociation Within the c(2x2)-Cl Matrix on Cu(100) under Reactive Conditions: A Combined In Situ STM and DFT Study
ECS Meeting Abstracts·2010Open Access
Uncovering Individual Hydrogen Bonds in Rotaxanes by Frequency Shifts
Journal of the American Chemical Society·2009· 19 cited
Molecular Recognition between the Constituents of a Pseudorotaxane Studied by Scanning Tunneling Microscopy
The Journal of Physical Chemistry C·2009· 6 cited
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Frequent Co-authors

Barbara Kirchner(14), Thomas Bredow(13), Christoph A. Schalley(6), Peter Broekmann(5), M. Sokołowski(5), Sigrid D. Peyerimhoff(4), Oldamur Hollóczki(4), Alexander Fluegel(3), Marco Arnold(3), Dieter Mayer(3), Benjamin Fiedler(3), Fritz Vögtle(3), I. Kossev(3), Thorsten Felder(3), Anja Wagner(3), Stefan Grimme(2), Florian Janetzko(2), Florian Weiss(2), Nguyen Thi Minh Hai(2), Hubert Keller(2)