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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) | -18285.6945484; Eh | |||
 | 17-Aug-2022 | D7h_t_C7Br7-_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UBLYP | 6-311+G(D,P) | -18285.6835400; Eh | |||
 | 17-Aug-2022 | s_C7Br7+3_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | 6-311+G(D,P) | -18284.3982333; Eh | |||
 | 17-Aug-2022 | t_C7Br7+3__BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UBLYP | 6-311+G(D,P) | -18284.3771105; Eh | |||
 | 17-Aug-2022 | C2_t_C7Br7+3_BLYP | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UBLYP | 6-311+G(D,P) | -18284.3770665; Eh | |||
 | 14-Feb-2023 | Optimization_H_complex_l132 | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | LANL2DZ DEF2TZVP GEN | -2435.14781593; Eh | |||
 | 14-Feb-2023 | Optimization_H_complex_l95 | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RBLYP | LANL2DZ DEF2TZVP GEN | -2356.51104972; Eh | |||
 | 1-Feb-2024 | /CAM-B3LYP_optimizations Tribenzosubporphyrin_(TBSubP)_CAM-B3LYP_cc-pvtz | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | CC-PVTZ | -1687.15909301; Eh | |||
 | 1-Feb-2024 | /CAM-B3LYP_optimizations ZnTetrabenzoporphyrin_(TBP)_CAM-B3LYP_cc-pvtz | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | CC-PVTZ | -3382.23136763; Eh | |||
 | 1-Feb-2024 | /CAM-B3LYP_optimizations Subphthalocyanine_(SubPc)_CAM-B3LYP_cc-pvtz | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | CC-PVTZ | -1735.28627806; Eh |
Results 11-20 of 38 (Search time: 0.001 seconds).