Fritz Grein, Ph.D.
Affiliations: | Chemistry | University of New Brunswick, Fredericton, New Brunswick, Canada |
Website:
http://www2.unb.ca/chem/fritz/index.htmlGoogle:
"Fritz Grein"Mean distance: 9.39
Children
Sign in to add trainee| Katherine Darvesh | grad student | 1986 | University of New Brunswick |
| Bernd Engels | post-doc | 1989-1989 | University of New Brunswick (Canada) |
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Publications
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| Grein F. (2013) Pseudo Jahn-Teller coupling in trioxides XO3((0,1,-1)) with 22 and 23 valence electrons. The Journal of Chemical Physics. 138: 204305 |
| Grein F. (2011) Multireference configuration interaction studies on higher valence and Rydberg states of OClO, ionization potentials, and electron detachment energies. The Journal of Chemical Physics. 135: 044304 |
| Cameron TS, Decken A, Grein F, et al. (2010) Preparation and characterization of (CNSSS)2(A)2 (A = AsF6(-), SbF6(-), Sb2F11(-)) containing the O2-like 5,5'-bis(1,2,3,4-trithiazolium) dication: the second example of a simple nonsterically hindered main-group diradical that retains its paramagnetism in the solid state. Inorganic Chemistry. 49: 7861-79 |
| Grein F. (2010) Excited states of dibromine monoxide (Br2O): MRCI, coupled cluster, and density functional studies. The Journal of Physical Chemistry. A. 114: 6157-63 |
| Adam AG, Downie LE, Granger AD, et al. (2010) A high resolution visible spectrum of iridium monophosphide Journal of Molecular Spectroscopy. 263: 111-119 |
| Grein F. (2009) Coupled cluster and density functional studies on geometries and energies of excited C(2v) states of ozone. The Journal of Chemical Physics. 130: 124118 |
| Grein F. (2009) The ClO4 radical: A theoretical study on ground and excited states Molecular Physics. 107: 2005-2013 |
| Grein F. (2009) Theoretical studies on ground and excited states of the BrO4 radical Chemical Physics Letters. 482: 34-37 |
| Darvesh KV, Grein F. (2009) Configuration selection in the MCSCF method. I. Application to the B1∑+ state of HF International Journal of Quantum Chemistry. 28: 247-256 |
| Grein F, Banerjee A. (2009) A multiconfiguration method for excited states of atoms and molecules International Journal of Quantum Chemistry. 9: 147-154 |