| Structural instability at the In-terminated surface of the heavy-fermion superconductor CeIrIn<sub>5</sub>
Tarasov, A. V., Mende, M., Ali, K., Poelchen, G., Schulz, S., Vilkov, O. Y., … Usachov, D. Y. (2022). Structural instability at the In-terminated surface of the heavy-fermion superconductor CeIrIn5. Surfaces and Interfaces, 32, 102126 (6 pp.). https://doi.org/10.1016/j.surfin.2022.102126 |
| Computational chemistry-guided syntheses and crystal structures of the heavier lanthanide hydride oxides DyHO, ErHO, and LuHO
Zapp, N., Sheptyakov, D., & Kohlmann, H. (2021). Computational chemistry-guided syntheses and crystal structures of the heavier lanthanide hydride oxides DyHO, ErHO, and LuHO. Crystals, 11(7), 750 (21 pp.). https://doi.org/10.3390/cryst11070750 |
| A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe
Becquart, C. S., Ngayam Happy, R., Olsson, P., & Domain, C. (2018). A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe. Journal of Nuclear Materials, 500, 92-109. https://doi.org/10.1016/j.jnucmat.2017.12.022 |
| <em>In situ</em> hydrogenation and crystal chemistry studies of Co<sub>2</sub>Si type compounds MgPd<sub>2</sub> and Pd<sub>2</sub>Zn
Götze, A., Zapp, N., Peretzki, A. J., Pomjakushin, V., Hansen, T. C., & Kohlmann, H. (2018). In situ hydrogenation and crystal chemistry studies of Co2Si type compounds MgPd2 and Pd2Zn. Zeitschrift für Anorganische und Allgemeine Chemie, 644(6), 367-375. https://doi.org/10.1002/zaac.201700434 |
| Defect levels and hyperfine constants of hydrogen in beryllium oxide from hybrid-functional calculations and muonium spectroscopy
Marinopoulos, A. G., Vilão, R. C., Vieira, R. B. L., Alberto, H. V., Gil, J. M., Yakushev, M. V., … Goko, T. (2017). Defect levels and hyperfine constants of hydrogen in beryllium oxide from hybrid-functional calculations and muonium spectroscopy. Philosophical Magazine, 97(24), 2108-2128. https://doi.org/10.1080/14786435.2017.1328133 |
| The kinetics of the reaction C<sub>2</sub>H<sub>5</sub><sup>•</sup>+HI→C<sub>2</sub>H<sub>6</sub>+I<sup>•</sup> over an extended temperature range (213-623 K): experiment and modeling
Leplat, N., Federič, J., Šulková, K., Sudolská, M., Louis, F., Černušák, I., & Rossi, M. J. (2015). The kinetics of the reaction C2H5•+HI→C2H6+I• over an extended temperature range (213-623 K): experiment and modeling. Zeitschrift für Physikalische Chemie, 229(10-12), 1475-1501. https://doi.org/10.1515/zpch-2015-0607 |
| Elucidating the thermal decomposition of dimethyl methylphosphonate by vacuum ultraviolet (VUV) photoionization: pathways to the PO radical, a key species in flame-retardant mechanisms
Liang, S., Hemberger, P., Neisius, N. M., Bodi, A., Grützmacher, H., Levalois-Grützmacher, J., & Gaan, S. (2015). Elucidating the thermal decomposition of dimethyl methylphosphonate by vacuum ultraviolet (VUV) photoionization: pathways to the PO radical, a key species in flame-retardant mechanisms. Chemistry: A European Journal, 21(3), 1073-1080. https://doi.org/10.1002/chem.201404271 |
| Structure of the interlayer in normal 11 Å tobermorite from an ab initio study
Churakov, S. V. (2009). Structure of the interlayer in normal 11 Å tobermorite from an ab initio study. European Journal of Mineralogy, 21(1), 261-271. https://doi.org/10.1127/0935-1221/2009/0021-1865 |
| Crystal chemistry of the G-phases in the {Ti, Zr, Hf}-Ni-Si systems
Grytsiv, A., Chen, X. Q., Rogl, P., Podloucky, R., Schmidt, H., Giester, G., & Pomjakushin, V. (2007). Crystal chemistry of the G-phases in the {Ti, Zr, Hf}-Ni-Si systems. Journal of Solid State Chemistry, 180(2), 733-741. https://doi.org/10.1016/j.jssc.2006.11.031 |
| Spin-orbit ab initio investigation of the photolysis of bromoiodomethane
Liu, Y. J., Ajitha, D., Krogh, J. W., Tarnovsky, A. N., & Lindh, R. (2006). Spin-orbit ab initio investigation of the photolysis of bromoiodomethane. ChemPhysChem, 7(4), 955-963. https://doi.org/10.1002/cphc.200500654 |
| Atom relaxations around hydrogen defects in lanthanum hydride
Renaudin, G., Yvon, K., Wolf, W., & Herzig, P. (2005). Atom relaxations around hydrogen defects in lanthanum hydride. Journal of Alloys and Compounds, 404-406(Spec. issue), 55-59. https://doi.org/10.1016/j.jallcom.2005.02.079 |
