@article{12930, author = {{Köthemann, Ronja and Weber, Nils and Lindner, Jörg K N and Meier, Cedrik}}, issn = {{0268-1242}}, journal = {{Semiconductor Science and Technology}}, number = {{9}}, title = {{{High-precision determination of silicon nanocrystals: optical spectroscopy versus electron microscopy}}}, doi = {{10.1088/1361-6641/ab3536}}, volume = {{34}}, year = {{2019}}, } @article{15420, author = {{An, YW and Lobacz, AD and Baumeister, Jochen and Rose, WC and Higginson, JS and Rosen, J and Swanik, CB}}, issn = {{1062-6050}}, journal = {{J Athl Train}}, title = {{{Negative Emotion and Joint-Stiffness Regulation Strategies After Anterior Cruciate Ligament Injury.}}}, doi = {{10.4085/1062-6050-246-18}}, year = {{2019}}, } @article{15421, author = {{Vogt, Sarah and Skjæret-Maroni, N and Neuhaus, D and Baumeister, Jochen}}, issn = {{1386-5056}}, journal = {{Int J Med Inform}}, pages = {{46--58}}, title = {{{Virtual reality interventions for balance prevention and rehabilitation after musculoskeletal lower limb impairments in young up to middle-aged adults: A comprehensive review on used technology, balance outcome measures and observed effects.}}}, doi = {{10.1016/j.ijmedinf.2019.03.009}}, volume = {{126}}, year = {{2019}}, } @inproceedings{15423, author = {{Lehmann, Tim and Büchel, Daniel and Cockcroft, John and Louw, Quinette and Baumeister, Jochen}}, location = {{Rom}}, title = {{{Phase Coupling of Bilateral Motor Areas Decreases from Bipedal to Single Leg Stance}}}, year = {{2019}}, } @article{15425, author = {{Gokeler, Alli and Neuhaus, D and Benjaminse, A and Grooms, DR and Baumeister, Jochen}}, issn = {{0112-1642}}, journal = {{Sports Med}}, number = {{6}}, pages = {{853--865}}, title = {{{Principles of Motor Learning to Support Neuroplasticity After ACL Injury: Implications for Optimizing Performance and Reducing Risk of Second ACL Injury.}}}, doi = {{10.1007/s40279-019-01058-0}}, volume = {{49}}, year = {{2019}}, } @article{15426, author = {{An, YW and DiTrani Lobacz, A and Lehmann, T and Baumeister, Jochen and Rose, WC and Higginson, JS and Rosen, J and Swanik, CB}}, issn = {{0905-7188}}, journal = {{Scand J Med Sci Sports}}, number = {{2}}, pages = {{251--258}}, title = {{{Neuroplastic changes in anterior cruciate ligament reconstruction patients from neuromechanical decoupling.}}}, doi = {{10.1111/sms.13322}}, volume = {{29}}, year = {{2019}}, } @article{15429, author = {{Dingenen, B and Truijen, J and Bellemans, J and Gokeler, A}}, issn = {{0968-0160}}, journal = {{Knee}}, number = {{5}}, pages = {{978--987}}, title = {{{Test-retest reliability and discriminative ability of forward, medial and rotational single-leg hop tests.}}}, doi = {{10.1016/j.knee.2019.06.010}}, volume = {{26}}, year = {{2019}}, } @article{15738, author = {{Ohto, Tatsuhiko and Dodia, Mayank and Xu, Jianhang and Imoto, Sho and Tang, Fujie and Zysk, Frederik and Kühne, Thomas D. and Shigeta, Yasuteru and Bonn, Mischa and Wu, Xifan and Nagata, Yuki}}, issn = {{1948-7185}}, journal = {{The Journal of Physical Chemistry Letters}}, pages = {{4914--4919}}, title = {{{Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface}}}, doi = {{10.1021/acs.jpclett.9b01983}}, volume = {{10}}, year = {{2019}}, } @article{15740, author = {{Guc, Maxim and Kodalle, Tim and Kormath Madam Raghupathy, Ramya and Mirhosseini, Hossein and Kühne, Thomas D. and Becerril-Romero, Ignacio and Pérez-Rodríguez, Alejandro and Kaufmann, Christian A. and Izquierdo-Roca, Victor}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{1285--1291}}, title = {{{Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations}}}, doi = {{10.1021/acs.jpcc.9b08781}}, volume = {{124}}, year = {{2019}}, } @article{14870, author = {{Wei, Qunshuo and Sain, Basudeb and Wang, Yongtian and Reineke, Bernhard and Li, Xiaowei and Huang, Lingling and Zentgraf, Thomas}}, issn = {{1530-6984}}, journal = {{Nano Letters}}, number = {{12}}, pages = {{8964–8971}}, title = {{{Simultaneous Spectral and Spatial Modulation for Color Printing and Holography Using All-dielectric Metasurfaces}}}, doi = {{10.1021/acs.nanolett.9b03957}}, volume = {{19}}, year = {{2019}}, } @article{16113, author = {{Tiedau, Johannes and Bartley, Tim and Harder, Georg and Lita, Adriana E. and Nam, Sae Woo and Gerrits, Thomas and Silberhorn, Christine}}, issn = {{2469-9926}}, journal = {{Physical Review A}}, title = {{{Scalability of parametric down-conversion for generating higher-order Fock states}}}, doi = {{10.1103/physreva.100.041802}}, year = {{2019}}, } @article{16314, author = {{Preiß, Sebastian and Päpcke, Ayla and Burkhardt, Lukas and Großmann, Luca and Lochbrunner, Stefan and Bauer, Matthias and Opatz, Till and Heinze, Katja}}, issn = {{0947-6539}}, journal = {{Chemistry – A European Journal}}, pages = {{5940--5949}}, title = {{{Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions}}}, doi = {{10.1002/chem.201900050}}, year = {{2019}}, } @article{16320, author = {{Müller, Patrick and Neuba, Adam and Flörke, Ulrich and Henkel, Gerald and Kühne, Thomas D. and Bauer, Matthias}}, issn = {{1089-5639}}, journal = {{The Journal of Physical Chemistry A}}, pages = {{3575--3581}}, title = {{{Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes}}}, doi = {{10.1021/acs.jpca.9b00463}}, year = {{2019}}, } @phdthesis{16325, author = {{Burkhardt, Lukas}}, title = {{{ Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]}}}, doi = {{10.17619/UNIPB/1-745}}, year = {{2019}}, } @phdthesis{16327, author = {{Müller, Patrick}}, title = {{{ Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]}}}, doi = {{10.17619/UNIPB/1-705}}, year = {{2019}}, } @article{13211, author = {{Kodalle, Tim and Kormath Madam Raghupathy, Ramya and Bertram, Tobias and Maticiuc, Natalia and Yetkin, Hasan A and Gunder, René and Schlatmann, Rutger and Kühne, Thomas D and Kaufmann, Christian A and Mirhosseini, Hossein}}, journal = {{physica status solidi (RRL)--Rapid Research Letters}}, number = {{3}}, pages = {{1800564}}, publisher = {{John Wiley & Sons, Ltd}}, title = {{{Properties of Co-Evaporated RbInSe2 Thin Films}}}, doi = {{10.1002/pssr.201800564}}, volume = {{13}}, year = {{2019}}, } @article{13225, abstract = {{Abstract The effect of extending the O−H bond length(s) in water on the hydrogen-bonding strength has been investigated using static ab initio molecular orbital calculations. The “polar flattening” effect that causes a slight σ-hole to form on hydrogen atoms is strengthened when the bond is stretched, so that the σ-hole becomes more positive and hydrogen bonding stronger. In opposition to this electronic effect, path-integral ab initio molecular-dynamics simulations show that the nuclear quantum effect weakens the hydrogen bond in the water dimer. Thus, static electronic effects strengthen the hydrogen bond in H2O relative to D2O, whereas nuclear quantum effects weaken it. These quantum fluctuations are stronger for the water dimer than in bulk water.}}, author = {{Clark, Timothy and Heske, Julian Joachim and Kühne, Thomas}}, journal = {{ChemPhysChem}}, keywords = {{ab initio calculations, bond theory, hydrogen bonds, isotope effects, solvent effects}}, pages = {{1--6}}, title = {{{Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O}}}, doi = {{10.1002/cphc.201900839}}, volume = {{20}}, year = {{2019}}, } @article{13232, author = {{Kaliannan, Naveen Kumar and Henao Aristizabal, Andres and Wiebeler, Hendrik and Zysk, Frederik and Ohto, Tatsuhiko and Nagata, Yuki and D. Kühne, Thomas}}, journal = {{Molecular Physics}}, pages = {{1--10}}, publisher = {{Taylor & Francis}}, title = {{{Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface}}}, doi = {{10.1080/00268976.2019.1620358}}, year = {{2019}}, } @article{13233, author = {{Müller, Patrick and Neuba, Adam and Flörke, Ulrich and Henkel, Gerald and Kühne, Thomas D. and Bauer, Matthias}}, journal = {{The Journal of Physical Chemistry A}}, number = {{16}}, pages = {{3575--3581}}, title = {{{Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes}}}, doi = {{10.1021/acs.jpca.9b00463}}, volume = {{123}}, year = {{2019}}, } @article{13236, abstract = {{Thermal treatment of hexaazatriphenylene-hexacarbonitrile (HAT-CN) in the temperature range from 500 °C to 700 °C leads to precise control over the degree of condensation{,} and thus atomic construction and porosity of the resulting C2N-type materials. Depending on the condensation temperature of HAT-CN{,} nitrogen contents of more than 30 at% can be reached. In general{,} these carbons show adsorption properties which are comparable to those known for zeolites but their pore size can be adjusted over a wider range. At condensation temperatures of 525 °C and below{,} the uptake of nitrogen gas remains negligible due to size exclusion{,} but the internal pores are large and polarizing enough that CO2 can still adsorb on part of the internal surface. This leads to surprisingly high CO2 adsorption capacities and isosteric heat of adsorption of up to 52 kJ mol−1. Theoretical calculations show that this high binding enthalpy arises from collective stabilization effects from the nitrogen atoms in the C2N layers surrounding the carbon atom in the CO2 molecule and from the electron acceptor properties of the carbon atoms from C2N which are in close proximity to the oxygen atoms in CO2. A true CO2 molecular sieving effect is achieved for the first time in such a metal-free organic material with zeolite-like properties{,} showing an IAST CO2/N2 selectivity of up to 121 at 298 K and a N2/CO2 ratio of 90/10 without notable changes in the CO2 adsorption properities over 80 cycles.}}, author = {{Walczak, Ralf and Savateev, Aleksandr and Heske, Julian Joachim and Tarakina, Nadezda V. and Sahoo, Sudhir and Epping, Jan D. and Kühne, Thomas and Kurpil, Bogdan and Antonietti, Markus and Oschatz, Martin}}, journal = {{Sustainable Energy Fuels}}, pages = {{--}}, publisher = {{The Royal Society of Chemistry}}, title = {{{Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design}}}, doi = {{10.1039/C9SE00486F}}, year = {{2019}}, }