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Browse by Institutions of the University
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- University of Regensburg (20908)
- Chemistry and Pharmacy (4078)
- Institut für Physikalische und Theoretische Chemie (522)
- Research Group Theoretical Chemistry (9)
- Prof. Dr. Martin Schütz (6)
- Research Group Theoretical Chemistry (9)
- Institut für Physikalische und Theoretische Chemie (522)
- Chemistry and Pharmacy (4078)
2011
Werner, Hans-Joachim and Schütz, Martin (2011) An efficient local coupled cluster method for accurate thermochemistry of large systems. The Journal of Chemical Physics 135 (14), p. 144116.
Ursyvat, Denis and Civalleri, Bartolomeo and Maschio, Lorenzo and Dovesi, Roberto and Pisani, Cesari and Schütz, Martin (2011) Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH. The Journal of Chemical Physics 134, p. 214105.
Lorenz, Marco and Usvyat, Denis and Schütz, Martin (2011) Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers. The Journal of Chemical Physics 134 (9), 094101.
Martinez-Casado, R. and Mallia, G. and Usvyat, D. and Maschio, L. and Casassa, S. and Schütz, Martin and Harrison, N. M. (2011) Periodic quantum mechanical simulation of the He-MgO(100) interaction potential. The Journal of Chemical Physics 134 (1), 014706.
2010
Schemmel, Dominik (2010) Ab initio investigations on H bonded molecular clusters. PhD, Universität Regensburg
Kats, Danylo (2010) Excitation energies and properties of large molecules from ab-initio calculations. PhD, Universität Regensburg