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| | Preview | Author(s) | Title | Type | Issue Date |
| 1 | | Galvez, Oscar ; Zoermer, Anja ; Loewenschuss, Aharon ; Grothe, Hinrich | A combined matrix isolation and ab initio study of bromine oxides | Artikel Article  | 2006 |
| 2 | | Body, M ; Legein, C ; Buzare, J-Y. ; Silly, G ; Blaha, Peter ; Martineau, C ; Calvayrac, F | Advances in Structural Analysis of Fluoroaluminates Using DFT Calculations of ²⁷Al Electric Field Gradients | Artikel Article | 2007 |
| 3 | | Šanda, František ; Perlík, Václav ; Lincoln, Craig N. ; Hauer, Jürgen | Center Line Slope Analysis in Two-Dimensional Electronic Spectroscopy | Artikel Article | 2015 |
| 4 |  | Treiber, Leonhard ; Kanya, Reika ; Kitzler-Zeiler, Markus ; Koch, Markus | Dynamics of Above-Threshold Ionization and Laser-Assisted Electron Scattering inside Helium Nanodroplets | Article Artikel   | 17-Nov-2022 |
| 5 | | Xu, Huailiang ; Okino, Tomoya ; Kudou, Tatsuya ; Yamanouchi, Kaoru ; Roither, Stefan ; Kitzler, Markus ; Baltuska, Andrius ; Chin, See-Leang | Effect of Laser Parameters on Ultrafast Hydrogen Migration in Methanol Studied by Coincidence Momentum Imaging | Artikel Article | 2012 |
| 6 | | Uzunova, Ellie L. ; Mikosch, Hans | Electronic Structure and Reactivity of Cobalt Oxide Dimers and their Hexacarbonyl Complexes: a Density Functional Study | Artikel Article | 2012 |
| 7 | | Hauer, J. ; Maiuri, M. ; Viola, D. ; Lukes, V. ; Henry, S. ; Carey, A. M. ; Cogdell, R. J. ; Cerullo, G. ; Polli, D. | Explaining the Temperature Dependence of Spirilloxanthin's S* Signal by an Inhomogeneous Ground State Model | Artikel Article | 2013 |
| 8 | | Zolles, Tobias ; Burkart, Julia ; Häusler, Thomas ; Pummer, Bernhard ; Hitzenberger, Regina ; Grothe, Hinrich | Identification of Ice Nucleation Active Sites on Feldspar Dust Particles | Artikel Article | 2015 |
| 9 | | Tran, Fabien ; Blaha, Peter | Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory | Artikel Article | 2017 |
| 10 | | Dinu, Dennis F. ; Bartl, Pit ; Quoika, Patrick K. ; Podewitz, Maren ; Liedl, Klaus R. ; Grothe, Hinrich ; Loerting, Thomas | Increase of Radiative Forcing through Midinfrared Absorption by Stable CO2 Dimers? | Artikel Article | 2022 |
| 11 | | Koranyi, Tamas ; Pfeifer, Eva ; Mihaly, Judith ; Föttinger, Karin | Infrared Spectroscopic Investigation of CO Adsorption on SBA-15- and KIT-6-Supported Nickel Phosphide Hydrotreating Catalysts | Artikel Article | 2008 |
| 12 | | Uzunova, Ellie L. | Intersystem Crossings of the Triplet and Singlet States in Cobalt and Copper Mononitrosyls | Artikel Article | 2009 |
| 13 | | Argüello, Gustavo ; Grothe, Hinrich ; Kronberg, Mark ; Willner, Helge ; Mack, Hans-Georg | IR and Visible Absorption Spectrum of the Fluoroformyloxyl Radical, FCO2, Isolated in Inert Gas Matrices | Artikel Article | 1995 |
| 14 | | Grothe, Hinrich ; Lund Myhre, Cathrine ; Nielsen, Claus Jörgen | Low-Frequency Raman Spectra of Nitric Acid Hydrates | Artikel Article | 2006 |
| 15 | | Evers, Jürgen ; Krumm, Burkhart ; Axthammer, Quirin J. ; Martens, Jörn ; Blaha, Peter ; Steemann, Franz Xaver ; Reith, Thomas ; Mayer, Peter ; Klapötke, Thomas M | Molecular Structure of Isocyanic Acid, HNCO, the Imide of Carbon Dioxide | Artikel Article | 2018 |
| 16 | | Lund Myhre, Cathrine ; Grothe, Hinrich ; Gola, Agnieszka ; Nielsen, Claus Jörgen | Optical constants of HNO3/H2O and H2SO4/HNO3/H2O at low temperatures in the infrared region | Artikel Article | 2005 |
| 17 | | Shakeri, Jamaladin ; Hadadzadeh, Hassan ; Farrokhpour, Hossein ; Joshaghani, Mohammad ; Weil, Matthias | Perrhenate-Catalyzed Deoxydehydration of a Vicinal Diol: A Comparative DFT Study | Artikel Article | 2017 |
| 18 | | Šimonka, Vito ; Hössinger, Andreas ; Weinbub, Josef ; Selberherr, Siegfried | ReaxFF Reactive Molecular Dynamics Study of Orientation Dependence of Initial Silicon Carbide Oxidation | Artikel Article | 2017 |
| 19 | | Galvez, Oscar ; Zoermer, Anja ; Grothe, Hinrich | Theoretical Study on the Structure of the BrO Hydrates | Artikel Article | 2006 |
| 20 | | Dinu, Dennis F. ; Podewitz, Maren ; Grothe, Hinrich ; Liedl, Klaus R. ; Loerting, Thomas | Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational−Vibrational Spectrum of Water in Solid Noble Gas Matrices | Artikel Article | 2019 |
