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Fritz Grein, Ph.D.

Affiliations: 
Chemistry University of New Brunswick, Fredericton, New Brunswick, Canada 
Website:
http://www2.unb.ca/chem/fritz/index.html
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Publications

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Decken A, Greer S, Grein F, et al. (2016) Absorption of SO2(g) by TDAE[O2SSO2](s) to Give TDAE[O2SS(O)2SO2](s): Related Reactions of [NR4]2[O2SSO2](s) (R = CH3, C2H5). Inorganic Chemistry
Grein F. (2015) Structure and properties of the anions MF4 -, MCl4 - and MBr4 - (M = C, Si, Ge) Molecular Physics. 113: 790-800
Schwarz WHE, Grein F, Ruedenberg K. (2014) In memoriam Hermann Hartmann, founder of TCA, on the occasion of his 100th birthday Theoretical Chemistry Accounts. 133
Grein F. (2014) Trihalide cations MF3 +, MCl3 + and MBr3 +, M = B, Al, Ga: Pseudo Jahn-Teller coupling, electronic spectra and ionization potentials of MX3 Theoretical Chemistry Accounts. 133: 1-10
Bruna P, Decken A, Greer S, et al. (2013) Synthesis of (TDAE)(O2SSO2)(s) and discovery of (TDAE)(O2SSSSO2)(s) containing the first polythionite, [O2SSSSO2]2-. Inorganic Chemistry. 52: 13651-62
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
Bruna P, Decken A, Grein F, et al. (2013) Synthesis of [N(CH3)4]2O3SOSO2(s) and [N(CH3)4]2[(O2SO)2SO2]·SO2(s) containing (SO4)(SO2)x(2-) x = 1, 2, members of a new class of sulfur oxydianions. Inorganic Chemistry. 52: 7193-202
Chan JK, Burrill S, Grein F. (2013) Theoretical studies of sulfite-sulfur dioxide clusters, SO3 2-(SO2)n: structure and stability of S nO2n+1 anions, n = 1-5 Canadian Journal of Chemistry. 91: 1018-1031
Grein F. (2013) Ground and excited states of BF3 +. Coupled cluster and density functional studies Chemical Physics. 423: 151-156
Bruna PJ, Grein F. (2012) Structures and vibrational spectra of SO(n)(p-) sulfur oxides, MSO(n)(-) anions, and MSO(n), M2SO(n) salts in the gas phase (n = 1-3; p = 0-2; M = Li, Na, K). A density functional theory study. The Journal of Physical Chemistry. A. 116: 10229-48
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