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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Oct-2025 | /SF/SF_sp ts_f_1ts1o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -919.8880102; Eh | |||
 | 29-Oct-2025 | /SF/SF_sp ts_f_1ts1n | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -919.880074; Eh | |||
 | 29-Oct-2025 | /SF/SF_sp f_1int1o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -919.9336783; Eh | |||
 | 29-Oct-2025 | /SF/SF_sp f_1int1n | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -919.9413384; Eh | |||
 | 29-Oct-2025 | /S9H/S9H_opt ts_f9_1ts2o_2 | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D,P) GEN | -4005.86343169; Eh | |||
 | 29-Oct-2025 | /S9H/S9H_opt f9_1int1o_3 | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -4005.86609046; Eh | |||
 | 29-Oct-2025 | /SF/SF_opt f_1int1n | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -919.685666224; Eh | |||
 | 29-Oct-2025 | /SF/SF_opt ts_f_1ts1n | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D,P) GEN | -919.637651887; Eh | |||
 | 29-Oct-2025 | /SF/SF_opt ts_f_1ts1o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D,P) GEN | -919.643513708; Eh | |||
 | 29-Oct-2025 | /SF/SF_opt f_1int1o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -919.683644890; Eh |
Results 1-10 of 240 (Search time: 0.001 seconds).