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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/no_Dispersion Pd(PR3)(Toluene) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RPBEPBE | 6-31+g**; SDD | -1434.45531619; Eh | |||
/in_vacuum Pd(PR3)(Toluene) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | RPBEPBE | 6-31+g**; SDD | -1434.46449406; Eh | |||
/in_toluene Pd(PR3)(Tolune) | Besora, Maria | Gaussian; 09; ES64L-G09RevD.01 | RPBEPBE | 6-31+g**; SDD | -1434.49019594; Eh |
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