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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/ECLIPSED Cr(ind)2_EC_ls | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | UTPSSh | DEF2TZVP | -1739.24184575; Eh | |||
/STAGGERED Cr(ind)2_STAG_ls | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | UTPSSh | DEF2TZVP | -1739.23911700; Eh |
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