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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Nov-2024 | /table_s4 MPPPPR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9251081; 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 PMMMPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9242654; Eh | |||
 | 29-Nov-2024 | /table_s4 PMMPMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9353977; Eh | |||
 | 29-Nov-2024 | /table_s4 PMMPPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.931725; Eh | |||
 | 29-Nov-2024 | /table_s4 PMPMMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.919969; 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 PMPPMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9176697; Eh | |||
 | 29-Nov-2024 | /table_s4 PMPPPR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9184383; 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 PPMMMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.908351; Eh | |||
 | 29-Nov-2024 | /table_s4 PPMMPR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.8988688; Eh | |||
 | 29-Nov-2024 | /table_s4 PPMMPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.908563; 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 PPMPPR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9253146; Eh | |||
 | 29-Nov-2024 | /table_s4 PPMPPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9352678; Eh | |||
 | 29-Nov-2024 | /table_s4 PPPMMS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.919221; Eh | |||
 | 29-Nov-2024 | /table_s4 PPPMPR | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9231467; Eh | |||
 | 29-Nov-2024 | /table_s4 PPPMPS | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ CC-PVTZ | -3459.9168744; 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 |