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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Mar-2025 | TSCD3 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Geometry optimization TS | - | def2-svp; autoaux; def2-TZVP | -1397.22029570009590; Eh | |||
 | 21-Mar-2025 | TSCD23 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Geometry optimization TS | - | def2-svp; autoaux; def2-TZVP | -1293.48115983746948; Eh | |||
 | 21-Mar-2025 | TSCD2 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Geometry optimization TS | - | def2-svp; autoaux; def2-TZVP | -1519.96683926996457; Eh | |||
 | 21-Mar-2025 | TSCD18 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Geometry optimization TS | - | def2-svp; autoaux; def2-TZVP | -1194.35961032084651; Eh | |||
 | 21-Mar-2025 | TSCD17 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Geometry optimization TS | - | def2-svp; autoaux; def2-TZVP | -1289.29654452112959; Eh | |||
 | 21-Mar-2025 | TSCD16 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Geometry optimization TS | - | def2-svp; autoaux; def2-TZVP | -1210.81253139544606; Eh | |||
 | 21-Mar-2025 | TSCD14 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Geometry optimization TS | - | def2-svp; autoaux; def2-TZVP | -1264.79997620100289; Eh | |||
 | 21-Mar-2025 | TSCD13 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Geometry optimization TS | - | def2-svp; autoaux; def2-TZVP | -1173.71817852577942; Eh | |||
 | 21-Mar-2025 | SP_TSCD8 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Single point | - | def2-TZVPPD; autoaux | -1137.41213808868474; Eh | |||
 | 21-Mar-2025 | SP_TSCD6 | Garcia Padilla, Eduardo | Orca; 6.0.x; STABLE | Single point | - | def2-TZVPPD; autoaux | -1175.80649240776984; Eh |
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