International Journal of Quantum Chemistry

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  • 2020 | Journal Article
    ​ ​Calibration of computational Mössbauer spectroscopy to unravel active sites in FeNC catalysts for the oxygen reduction reaction​
    Gallenkamp, C.; Kramm, U. I.; Proppe, J. & Krewald, V.​ (2020) 
    International Journal of Quantum Chemistry, 121(3).​ DOI: https://doi.org/10.1002/qua.26394 
    ​Details  DOI 
  • 2015 | Journal Article | Letter Note
    ​ ​Comment on: "Quantum Confinement in Hydrogen Bond" by Carlos da Silva dos Santos, Elso Drigo Filho, and Regina Maria Ricotta, Int. J. Quantum Chem. 2015, 115, 765-770.​
    Heger, M. & Suhm, M. A. ​ (2015) 
    International Journal of Quantum Chemistry, 115(20) pp. 1510​-1511​.​ DOI: https://doi.org/10.1002/qua.24958 
    ​Details  DOI  WoS 
  • 2014 | Journal Article
    ​ ​Tensor product methods and entanglement optimization for ab initio quantum chemistry​
    Szalay, S.; Pfeffer, M. ; Murg, V.; Barcza, G.; Verstraete, F.; Schneider, R. & Legeza, Ö.​ (2014) 
    International Journal of Quantum Chemistry, 115(19) pp. 1342​-1391​.​ DOI: https://doi.org/10.1002/qua.24898 
    ​Details  DOI  arXiv 

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