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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jan-2018 | /no_Dispersion Pd(PR3)2(Toluene) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -2469.75314423; Eh | |||
 | 23-Jan-2018 | /no_Dispersion Pd(PR3)(Toluene)2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1705.67598172; Eh | |||
 | 23-Jan-2018 | /no_Dispersion Pd(PR3)(Toluene) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1434.45531619; Eh | |||
 | 23-Jan-2018 | /no_Dispersion Pd(PR3) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1163.20317412; Eh | |||
 | 23-Jan-2018 | /no_Dispersion PR3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g** | -1035.26958225; Eh | |||
 | 23-Jan-2018 | /no_Dispersion Toluene | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g** | -271.220999051; Eh | |||
 | 23-Jan-2018 | /in_vacuum Pd(PR3)2(Toluene) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -2469.79600236; Eh | |||
 | 23-Jan-2018 | /in_vacuum Pd(PR3)(Toluene)2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1705.70118510; Eh | |||
 | 23-Jan-2018 | /no_Dispersion Pd(PR3)2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -2198.53022815; Eh | |||
 | 23-Jan-2018 | /in_vacuum Pd(PR3)(Toluene) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1434.46449406; Eh |
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