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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Nov-2024 | /table_s4 MPPMMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9234364; Eh | |||
 | 29-Nov-2024 | /table_s4 PMPPMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9176697; Eh | |||
 | 29-Nov-2024 | /table_s4 MPPPMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.916094; Eh | |||
 | 29-Nov-2024 | /table_s4 MPPPPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9294328; Eh | |||
 | 29-Nov-2024 | /table_s4 PPPPMR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9339026; Eh | |||
 | 29-Nov-2024 | /table_s4 PPMMMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.908351; Eh | |||
 | 29-Nov-2024 | /table_s4 PMPPPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9289091; Eh | |||
 | 29-Nov-2024 | /table_s4 PPMPMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9384862; Eh | |||
 | 29-Nov-2024 | /table_s4 PMPMPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9221973; Eh | |||
 | 29-Nov-2024 | /table_s4 MPMMPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9185119; Eh |
Results 1-10 of 48 (Search time: 0.0 seconds).