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Unpublished work
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2h structure by 6.5 kcal/mol: Koseki, S.; Toyota, A. Unpublished work.
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The d exponent was 0.8 for carbon atoms
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The d exponent was 0.8 for carbon atoms.
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2v geometry, the present pseudo-JT distortions should be intrinsic phenomena in these excited molecules. See, for examples: (a) Toyota, A.; Tanaka, T.; Nakajima, T. Int. J. Quantum Chem. 1976, 10, 917. (b) Kleiner, D. A.; Martin, R. L.; Wadt, W. R.; Moomaw, W. R. J. Am. Chem. Soc. 1982, 104, 60. (c) Paldus, J.; Cizek, J. Can. J. Chem. 1985, 63, 1803, and references cited therein.
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0011743784
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2v geometry, the present pseudo-JT distortions should be intrinsic phenomena in these excited molecules. See, for examples: (a) Toyota, A.; Tanaka, T.; Nakajima, T. Int. J. Quantum Chem. 1976, 10, 917. (b) Kleiner, D. A.; Martin, R. L.; Wadt, W. R.; Moomaw, W. R. J. Am. Chem. Soc. 1982, 104, 60. (c) Paldus, J.; Cizek, J. Can. J. Chem. 1985, 63, 1803, and references cited therein.
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0242689542
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and references cited therein
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2v geometry, the present pseudo-JT distortions should be intrinsic phenomena in these excited molecules. See, for examples: (a) Toyota, A.; Tanaka, T.; Nakajima, T. Int. J. Quantum Chem. 1976, 10, 917. (b) Kleiner, D. A.; Martin, R. L.; Wadt, W. R.; Moomaw, W. R. J. Am. Chem. Soc. 1982, 104, 60. (c) Paldus, J.; Cizek, J. Can. J. Chem. 1985, 63, 1803, and references cited therein.
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47
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85034308459
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s one are obtained by geometry optimizations starting with several possible nonplanar conformations
-
s one are obtained by geometry optimizations starting with several possible nonplanar conformations.
-
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48
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85034303681
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According to our unpublished work for the ground state of the heptafulvalene anion radical, however, the corresponding atomic distance is 2.095 Å, which is almost the same as that observed for the ground state of the neutral heptafulvalene molecule
-
According to our unpublished work for the ground state of the heptafulvalene anion radical, however, the corresponding atomic distance is 2.095 Å, which is almost the same as that observed for the ground state of the neutral heptafulvalene molecule.
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49
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84985516477
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The X-ray crystal structure of tetra-tert-butylcyclobutadiene at -150 °C indicates that the nonbonded distances between hydrogen atoms are in the range of 1.77 to 1.98 Å: Irngartinger, H.; Nixdorf, M. Angew. Chem., Int. Ed. Engl. 1983, 22, 403.
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