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publications [2016/01/19 20:31]
hjaaj hjaaj: added my EPR article from 2013. Corrected 2012 to 2013 in another 2013 article.
publications [2018/12/01 21:17] (current)
hjaaj added PE-DIRAC article
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 ===== Publications related to DIRAC development ===== ===== Publications related to DIRAC development =====
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 +==== 2017 ====
 +
 +    * E. D. Hedegård, R. Bast, J. Kongsted, J. M. H. Olsen, and H. J. Aa. Jensen, //​Relativistic Polarizable Embedding//​. J. Chem. Theory Comput. 13, 2870–2880 (2017) [[http://​doi.org/​10.1021/​acs.jctc.7b00162|online]]
  
 ==== 2015 ==== ==== 2015 ====
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 ==== 2014 ==== ==== 2014 ====
  
-    * M. IliašM. Dobrucký, //Grid Computing with Relativistic Quantum Chemistry Software//. Journal of Grid Computing ​ **12**, 681 (2014). [[http://​dx.doi.org/​10.1007/​s10723-014-9309-4|online]] ​+    * M. Iliaš ​and M. Dobrucký, //Grid Computing with Relativistic Quantum Chemistry Software//. Journal of Grid Computing ​ **12**, 681 (2014). [[http://​dx.doi.org/​10.1007/​s10723-014-9309-4|online]] ​
  
     * M. Pernpointner,​ //The relativistic polarization propagator for the calculation of electronic excitations in heavy systems//. J. Chem. Phys. **140**, 084108 (2014). [[http://​dx.doi.org/​10.1063/​1.4865964|online]]     * M. Pernpointner,​ //The relativistic polarization propagator for the calculation of electronic excitations in heavy systems//. J. Chem. Phys. **140**, 084108 (2014). [[http://​dx.doi.org/​10.1063/​1.4865964|online]]
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     * S. Knecht, O. Legeza, and M. Reiher, //​Four-component density matrix renormalization group//. Communication:​ J. Chem. Phys. **140**, 041101 (2014) [[http://​dx.doi.org/​10.1063/​1.4862495|online]].     * S. Knecht, O. Legeza, and M. Reiher, //​Four-component density matrix renormalization group//. Communication:​ J. Chem. Phys. **140**, 041101 (2014) [[http://​dx.doi.org/​10.1063/​1.4862495|online]].
  
-    * E. D. Hedegaard, S. Knecht, J. Kongsted, U. Ryde, and T. Saue, //​Theoretical 57Fe Mössbauer Spectroscopy:​ Isomer shifts of [Fe]-Hydrogenase Intermediates//​. Phys. Chem. Chem. Phys. **16**, 4853-4863 (2014) [[http://​dx.doi.org/​10.1039/​C3CP54393E|online]].+    * E. D. Hedegård, S. Knecht, J. Kongsted, U. Ryde, and T. Saue, //​Theoretical 57Fe Mössbauer Spectroscopy:​ Isomer shifts of [Fe]-Hydrogenase Intermediates//​. Phys. Chem. Chem. Phys. **16**, 4853-4863 (2014) [[http://​dx.doi.org/​10.1039/​C3CP54393E|online]].
  
 ==== 2013 ==== ==== 2013 ====
publications.1453231873.txt.gz · Last modified: 2016/01/19 20:31 by hjaaj