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-
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3042644917
-
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note
-
BOVB differs from VBSCF only when multiple VB configurations are involved.
-
-
-
-
56
-
-
3042541598
-
-
note
-
3 molecule but planar by itself.
-
-
-
-
57
-
-
3042691453
-
-
note
-
10 BOVB weights are 0.339, 0.643, and 0.018 and C-C weights are 0.307, 0.639, and 0.054 for φc, φHL, and φI respectively.
-
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-
-
59
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-
0003905492
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Betrán, J., Csizmadia, I. G., Eds.; Kluwer Academic Publishers: Norwell, MA
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Shaik, S.S.1
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3042689283
-
-
note
-
ij|.
-
-
-
-
62
-
-
3042589985
-
-
note
-
3 where φC also has the largest weight although not significantly larger.
-
-
-
|