Publications by authors named "Friedrich Grein"

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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).
Andreas Decken, Scott Greer, Friedrich Grein, Aaron Mailman, Birgit Mueller

Inorg Chem· June 2016

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Synthesis of (TDAE)(O2SSO2)(s) and discovery of (TDAE)(O2SSSSO2)(s) containing the first polythionite, [O2SSSSO2]2-.
Pablo Bruna, Andreas Decken, Scott Greer, Friedrich Grein, H Donald B Jenkins

Inorg Chem· December 2013

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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.
Pablo Bruna, Andreas Decken, Friedrich Grein, Jack Passmore, J Mikko Rautiainen

Inorg Chem· June 2013

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Pseudo Jahn-Teller coupling in trioxides XO3((0,1,-1)) with 22 and 23 valence electrons.
Friedrich Grein

J Chem Phys· May 2013

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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.
Pablo J Bruna, Friedrich Grein

J Phys Chem A· October 2012

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Multireference configuration interaction studies on higher valence and Rydberg states of OClO, ionization potentials, and electron detachment energies.
Friedrich Grein

J Chem Phys· July 2011

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The electronic spectrum and photodissociation of dinitrogen tetroxide (N(2)O(4)): Multireference configuration interaction studies.
Friedrich Grein

J Chem Phys· October 2010

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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.
T Stanley Cameron, Andreas Decken, Friedrich Grein, Carsten Knapp, Jack Passmore

Inorg Chem· September 2010

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Excited states of dibromine monoxide (Br2O): MRCI, coupled cluster, and density functional studies.
Friedrich Grein

J Phys Chem A· May 2010

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Axial asymmetry of the charge- and spin-density distributions in Pi states. Molecular quadrupole moments and hyperfine coupling constants of CH, NH, OH, CF, LiO, NO, and FO.
Pablo J Bruna, Friedrich Grein

J Phys Chem A· March 2009

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Coupled cluster and density functional studies on geometries and energies of excited C(2v) states of ozone.
Friedrich Grein

J Chem Phys· March 2009

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NC-(CF2)4-CNSSN radical containing 1,2,3,5-dithiadiazolyl radical dimer exhibiting triplet excited states at low temperature and thermal hysteresis on melting-solidification: structural, spectroscopic, and magnetic characterization.
Konstantin V Shuvaev, Andreas Decken, Friedrich Grein, Tareque S M Abedin, Laurence K Thompson

Dalton Trans· August 2008

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N-heterocyclic carbene complexes of Rh: reaction with dioxygen without oxidation.
Jeremy M Praetorius, Daryl P Allen, Ruiyao Wang, Jonathan D Webb, Friedrich Grein

J Am Chem Soc· March 2008

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Quadrupole, octopole, and hexadecapole electric moments of Sigma, Pi, Delta, and Phi electronic states: cylindrically asymmetric charge density distributions in linear molecules with nonzero electronic angular momentum.
Pablo J Bruna, Friedrich Grein

J Chem Phys· August 2007

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Density functional theory and multireference configuration interaction studies on low-lying excited states of TiO2.
Friedrich Grein

J Chem Phys· January 2007

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Theoretical studies on dications and trications of FH, ClH, and BrH. Properties of the bound 1(5)sigma- states. Electron-spin g-factors and fine/hyperfine constants of the metastable X3Sigma- states of ClH2+ and BrH2+.
Pablo J Bruna, Friedrich Grein

J Phys Chem A· April 2006

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Theoretical and experimental studies on the Baeyer-Villiger oxidation of ketones and the effect of alpha-halo substituents.
Friedrich Grein, Austin C Chen, David Edwards, Cathleen M Crudden

J Org Chem· February 2006

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Rare gas effects on hyperfine coupling constants of BO, AlO, and GaO.
Friedrich Grein

J Phys Chem A· October 2005

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Electron spin resonance g tensors for complexes of Ne and Ar with AlO: theoretical studies related to the large matrix effect observed for AlO.
Friedrich Grein

J Chem Phys· March 2005

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