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85163230569
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Chemical name: [l,4]dithiino[2,3-b;5,6-b′]diquinoxaline; synonym: 6, 13-dithia-5, 7, 12, 14-tetraazapentacene
-
Chemical name: [l,4]dithiino[2,3-b;5,6-b′]diquinoxaline; synonym: 6, 13-dithia-5, 7, 12, 14-tetraazapentacene.
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10
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85163227907
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Raman spectroscopy has been widely used to understand the nature of the products isolated in the solid state between donors and I2: a M. Area, M. C. Aragoni, F. A. Devillanova, A. Garau, F. Isaia, V. Lippolis, A. Mancini, G. Verani, Reactions Between Chalcogen Donors and Dihalogens/Interalogens: Typology of Products and Their Characterization by FT-Raman Spectroscopy, Bioinorg. Chem. Appl. 2006, Article 58937. DOI:10.1155/BCA/2006/58937 and references cited therein
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85163231268
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Optimized I-I bond lengths for the isolated iodine molecule in the gas phase (B3LYP functional): 2.824, 2.863, 2.716, 2.718, 2.823, 2.786 and 2.853 Å calculated with the CRENBL, LANL2DZ, LANL2DZ(d,p), LANL08(d), SBKJC, SBKJC polarized-LFK and Stuttgart RLC BSs, respectively.
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Optimized I-I bond lengths for the isolated iodine molecule in the gas phase (B3LYP functional): 2.824, 2.863, 2.716, 2.718, 2.823, 2.786 and 2.853 Å calculated with the CRENBL, LANL2DZ, LANL2DZ(d,p), LANL08(d), SBKJC, SBKJC polarized-LFK and Stuttgart RLC BSs, respectively.
-
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34
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85163232677
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Optimized I-I bond lengths for the isolated iodine molecule in the gas phase (mPW1PW functional): 2.777, 2.830, 2.683, 2.685, 2.789, 2.756 and 2.819 Å calculated with the CRENBL, LANL2DZ, LANL2DZ(d,p), LANL08(d), SBKJC, SBKJC polarized-LFK. and Stuttgart RLC BSs, respectively.
-
Optimized I-I bond lengths for the isolated iodine molecule in the gas phase (mPW1PW functional): 2.777, 2.830, 2.683, 2.685, 2.789, 2.756 and 2.819 Å calculated with the CRENBL, LANL2DZ, LANL2DZ(d,p), LANL08(d), SBKJC, SBKJC polarized-LFK. and Stuttgart RLC BSs, respectively.
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is a free Graphical User Interface for computational chemistry packages. It is available from
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A. R. Allouche, Gabedit is a free Graphical User Interface for computational chemistry packages. It is available from http:// gabedit.sourceforge.net/.
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Gabedit
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Allouche, A.R.1
|