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Anchoring the hydrogen sulfide dimer potential energy surface to juxtapose (H2S)2 with (H2O)2.
J Chem Phys. 2020 Jun 7;152(21):214306. doi: 10.1063/5.0008929.
J Chem Phys. 2020.
PMID: 32505140
Probing Dative and Dihydrogen Bonding in Ammonia Borane with Electronic Structure Computations and Raman under Nitrogen Spectroscopy.
Dreux KM, McNamara LE, Kelly JT, Wright AM, Hammer NI, Tschumper GS.
Dreux KM, et al.
J Phys Chem A. 2017 Aug 10;121(31):5884-5893. doi: 10.1021/acs.jpca.7b03509. Epub 2017 Jul 11.
J Phys Chem A. 2017.
PMID: 28696687
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Binding of the atomic cations hydrogen through argon to water and hydrogen sulfide.
Westbrook BR , Dreux KM , Tschumper GS , Francisco JS , Fortenberry RC .
Westbrook BR , et al. Among authors: dreux km.
Phys Chem Chem Phys. 2018 Oct 17;20(40):25967-25973. doi: 10.1039/c8cp05378b.
Phys Chem Chem Phys. 2018.
PMID: 30298145
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Examination of the structures, energetics, and vibrational frequencies of small sulfur-containing prototypical dimers, (H2 S)2 and H2 O/H2 S.
Dreux KM, Tschumper GS.
Dreux KM, et al.
J Comput Chem. 2019 Jan 5;40(1):229-236. doi: 10.1002/jcc.25578. Epub 2018 Oct 11.
J Comput Chem. 2019.
PMID: 30368839
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Characterizing the excess electron of Li(NH3)4.
Sommerfeld T, Dreux KM.
Sommerfeld T, et al. Among authors: dreux km.
J Chem Phys. 2012 Dec 28;137(24):244302. doi: 10.1063/1.4772018.
J Chem Phys. 2012.
PMID: 23277931
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Excess electrons bound to molecular systems with a vanishing dipole but large molecular quadrupole.
Sommerfeld T, Dreux KM, Joshi R.
Sommerfeld T, et al. Among authors: dreux km.
J Phys Chem A. 2014 Sep 4;118(35):7320-9. doi: 10.1021/jp411787w. Epub 2014 Feb 12.
J Phys Chem A. 2014.
PMID: 24521465
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Unusual open chain quinolinyl peroxol and its alcohol counterpart obtained through a modified Skraup-Doebner-Von Miller quinoline synthesis: theoretical studies and complete (1) H- and (13) C-NMR assignments.
Fotie J, Kemami Wangun HV, Dreux K, Sommerfeld T, Pittman J.
Fotie J, et al.
Magn Reson Chem. 2012 Jan;50(1):68-73. doi: 10.1002/mrc.3791. Epub 2012 Feb 5.
Magn Reson Chem. 2012.
PMID: 22307961
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