Physical Chemistry, Chemical Physics

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  • 2019 | Journal Article
    ​ ​Influence of mineralization and injection flow rate on flow patterns in three-dimensional porous media​
    Moosavi, R.; Kumar, A.; De Wit, A. & Schröter, M.​ (2019) 
    Physical Chemistry Chemical Physics, 21(27) pp. 14605​-14611​.​ DOI: https://doi.org/10.1039/C9CP01382B 
    ​Details  DOI 
  • 2019 | Journal Article | Research Paper
    ​ ​Tetrel bonds and conformational equilibria in the formamide–CO2 complex: a rotational study​
    Gao, S.; Obenchain, D. A. ; Lei, J.; Feng, G.; Herbers, S.; Gou, Q. & Grabow, J.-U.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(13) pp. 7016​-7020​.​ DOI: https://doi.org/10.1039/C9CP00055K 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Absorption spectra at the iodine 3d ionisation threshold following the CHxI+ (x = 0–3) cation sequence​
    Schubert, K.; Guda, A. A.; Mertens, K.; Schunck, J. O.; Schippers, S.; Müller, A. & Bari, S. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(45) pp. 25415​-25424​.​ DOI: https://doi.org/10.1039/C9CP04640B 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds​
    Oswald, S. & Suhm, M. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(35) pp. 18799​-18810​.​ DOI: https://doi.org/10.1039/C9CP03651B 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation study​
    Oswald, S.; Suhm, M. A.   & Coussan, S.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(3) pp. 1277​-1284​.​ DOI: https://doi.org/10.1039/C8CP07053A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study​
    Forsting, T.; Zischang, J.; Suhm, M. A. ; Eckhoff, M.; Schröder, B.   & Mata, R. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(11) pp. 5989​-5998​.​ DOI: https://doi.org/10.1039/C9CP00399A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3)​
    Bari, S.; Inhester, L.; Schubert, K.; Mertens, K.; Schunck, J. O.; Dörner, S. & Deinert, S. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(30) pp. 16505​-16514​.​ DOI: https://doi.org/10.1039/C9CP02864A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Electron transfer mediates vibrational relaxation of CO in collisions with Ag(111)​
    Wagner, R. J. V.; Krüger, B. C.; Park, G. B.; Wallrabe, M.; Wodtke, A. M. & Schäfer, T.​ (2019) 
    Physical Chemistry Chemical Physics, 21(4) pp. 1650​-1655​.​ DOI: https://doi.org/10.1039/C8CP06041J 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Phenylacetylene as a gas phase sliding balance for solvating alcohols​
    Karir, G.; Lüttschwager, N. O. B.   & Suhm, M. A. ​ (2019) 
    Physical Chemistry, Chemical Physics, 21(15) pp. 7831​-7840​.​ DOI: https://doi.org/10.1039/C9CP00435A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry​
    Li, J.; Song, K. & Behler, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(19) pp. 9672​-9682​.​ DOI: https://doi.org/10.1039/C8CP06919K 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Dispersion-controlled docking preference: multi-spectroscopic study on complexes of dibenzofuran with alcohols and water​
    Bernhard, D.; Fatima, M.; Poblotzki, A.; Steber, A. L.; Pérez, C.; Suhm, M. A.   & Schnell, M.  et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(29) pp. 16032​-16046​.​ DOI: https://doi.org/10.1039/C9CP02635E 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Falloff curves and mechanism of thermal decomposition of CF 3 I in shock waves​
    Cobos, C. J.; Sölter, L.; Tellbach, E. & Troe, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(43) pp. 23893​-23899​.​ DOI: https://doi.org/10.1039/C9CP04771A 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Shiga toxin binding alters lipid packing and the domain structure of Gb 3 -containing membranes: a solid-state NMR study​
    Bosse, M.; Sibold, J. ; Scheidt, H. A.; Patalag, L. J.; Kettelhoit, K.; Ries, A.   & Werz, D. B. et al.​ (2019) 
    Physical Chemistry, Chemical Physics, 21(28) pp. 15630​-15638​.​ DOI: https://doi.org/10.1039/C9CP02501D 
    ​Details  DOI 
  • 2019 | Journal Article | 
    ​ ​Shock wave and modelling study of the dissociation pathways of (C 2 F 5 ) 3 N​
    Cobos, C. J.; Hintzer, K.; Sölter, L.; Tellbach, E.; Thaler, A. & Troe, J. ​ (2019) 
    Physical Chemistry Chemical Physics, 21(19) pp. 9785​-9792​.​ DOI: https://doi.org/10.1039/C9CP01142K 
    ​Details  DOI 
  • 2019 | Journal Article
    ​ ​A high-throughput computational approach to UV-Vis spectra in protein mutants​
    Paulikat, M.; Mata, R. A.   & Gelabert, R.​ (2019) 
    Physical Chemistry Chemical Physics, 21(37) pp. 20678​-20692​.​ DOI: https://doi.org/10.1039/c9cp03908b 
    ​Details  DOI  PMID  PMC 
  • 2019 | Journal Article | 
    ​ ​Production of highly concentrated and hyperpolarized metabolites within seconds in high and low magnetic fields​
    Korchak, S.; Emondts, M.; Mamone, S.; Blümich, B. & Glöggler, S.​ (2019) 
    Physical Chemistry Chemical Physics, 21(41) pp. 22849​-22856​.​ DOI: https://doi.org/10.1039/C9CP05227E 
    ​Details  DOI  PMID  PMC 

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