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Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory Ong SP, Ceder G Electrochimica Acta, 55(11), 3804, 2010 |
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Thermochemical parameters of caffeine, theophylline, and xanthine Cuong NT, Tai TB, Ha VTT, Nguyen MT Journal of Chemical Thermodynamics, 42(4), 437, 2010 |
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Endohedral encapsulation of lithium in C-70 Veljkovic M, Neskovic O, Ivetic T, Velickovic S, Maksin T Materials Science Forum, 480, 351, 2005 |
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Vertical ionization energies of alpha-L-amino acids as a function of their conformation: an ab initio study Dehareng D, Dive G International Journal of Molecular Sciences, 5(11-12), 301, 2004 |
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A novel network structure of organometallic clusters in the gas phase Nakajima A, Kaya K Journal of Physical Chemistry A, 104(2), 176, 2000 |
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Ionization energies and electron mobilities in phosphorus- and nitrogen-implanted 4H-silicon carbide Capano MA, Cooper JA, Melloch MR, Saxler A, Mitchel WC Materials Science Forum, 338-3, 703, 2000 |
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Density functional study of carbon clusters C-2n (2 <= n <= 16). I. Structure and bonding in the neutral clusters Jones RO Journal of Chemical Physics, 110(11), 5189, 1999 |
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A systematic application of density functional theory to some carbon-containing molecules and their anions Brown ST, Rienstra-Kiracofe JC, Schaefer HF Journal of Physical Chemistry A, 103(20), 4065, 1999 |
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Vibrational and electronic second hyperpolarizabilities of all-trans polysilane chains Perpete EA, Andre JM, Champagne B Journal of Chemical Physics, 109(11), 4624, 1998 |
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Orbital and shakeup operator renormalizations in electron propagator theory Ortiz JV Journal of Chemical Physics, 109(14), 5741, 1998 |