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 | Bond type | Bond Length (Å) | ||
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Experimental | Calculated | Difference | |||
VO | Vanadium monoxide | rVO | 1.589 | 1.693 | 0.104 |
GaP | Gallium monophosphide | rPGa | 2.450 | 2.243 | -0.207 |
Ar2 | Argon diatomic | rArAr | 3.758 | 4.063 | 0.305 |
Ar2+ | Argon diatomic cation | rArAr | 2.320 | 2.515 | 0.195 |
CaS | Calcium sulfide | rSCa | 2.318 | 2.535 | 0.218 |
AlP | Aluminum monophosphide | rAlP | 2.400 | 2.238 | -0.162 |
AlP | Aluminum monophosphide | rAlP | 2.220 | 2.107 | -0.113 |