Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jan-2018 | /in_vacuum Pd(PR3)2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -2198.54738841; Eh | |||
 | 23-Jan-2018 | /in_vacuum Pd(PR3) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1163.20734240; Eh | |||
 | 23-Jan-2018 | /in_vacuum PR3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g** | -1035.27006098; Eh | |||
 | 23-Jan-2018 | /in_vacuum Toluene | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g** | -271.216931865; Eh | |||
 | 23-Jan-2018 | /in_toluene Pd(PR3)2(Toluene) | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -2469.83445346; Eh | |||
 | 23-Jan-2018 | /in_toluene Pd(PR3)(Toluene)2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1705.73098954; Eh | |||
 | 23-Jan-2018 | /in_toluene Pd(PR3)(Tolune) | Besora, Maria | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1434.49019594; Eh | |||
 | 23-Jan-2018 | /in_toluene Pd(PR3)2 | Besora, Maria | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -2198.58256371; Eh | |||
 | 23-Jan-2018 | /in_toluene PdPPh3 | Besora, Maria | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g**; SDD | -1163.22777196; Eh | |||
 | 23-Jan-2018 | /in_toluene PR3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+g** | -1035.28885760; Eh |
Results 11-20 of 21 (Search time: 0.002 seconds).