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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Aug-2022 | D7h_s_C7Br7+_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | 6-311+G(D,P) | -18285.3687049; Eh | |||
 | 17-Aug-2022 | s_C7Br7+_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | 6-311+G(D,P) | -18285.3816701; Eh | |||
 | 17-Aug-2022 | D7h_s_C7I7+_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | SDD 6-311+G(D,P) GEN | -345.940770165; Eh | |||
 | 17-Aug-2022 | s_C7I7+_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | SDD 6-311+G(D,P) GEN | -345.995593145; Eh | |||
 | 17-Aug-2022 | s_C7Br7-_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | 6-311+G(D,P) | -18285.7698296; Eh | |||
 | 17-Aug-2022 | s_C7H7+_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | 6-311+G(D,P) | -270.620272649; Eh | |||
 | 17-Aug-2022 | s_C7F7+_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | 6-311+G(D,P) | -965.424506115; Eh | |||
 | 17-Aug-2022 | D7h_s_C7Cl7+_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | 6-311+G(D,P) | -3487.81890588; Eh | |||
 | 17-Aug-2022 | s_C7Cl7+_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | 6-311+G(D,P) | -3487.82101739; Eh | |||
 | 17-Aug-2022 | s_C6I6+2_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | SDD 6-311+G(D,P) GEN | -296.158062966; Eh |
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