Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
C2H3+ | vinyl cation |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.316 | 1998Kuc | 1 | 2 | |||
rCH | 1.085 | 1998Kuc | r0 values assumed | 2 | 4 | ||
rCH | 1.080 | 1998Kuc | !assumed | 1 | 3 | ||
aHCC | 137.3 | 1998Kuc | 2 | 1 | 3 | ||
aHCC | 121.5 | 1998Kuc | 1 | 2 | 4 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |