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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Dec-2025 | /TSscis-Rtb4-2-1-3/TSscis-Rtb4-2-1-3-opt TSscis_Rtb4_2_1_3_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -1276.10845760424104; Eh | |||
 | 17-Dec-2025 | /TSscis-Rtb4-1-3-1/TSscis-Rtb4-1-3-1-opt TSscis_Rtb4_1_3_1_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -1276.11017094361387; Eh | |||
 | 17-Dec-2025 | /TSscis-Rtb3-1-2-1/TSscis-Rtb3-1-2-1-opt TSscis_Rtb3_1_2_1_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -967.01777721254848; Eh | |||
 | 17-Dec-2025 | /TSscis-Rtb2-1-1-1/TSscis-Rtb2-1-1-1-opt TSscis_Rtb2_1_1_1_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -657.92520582433121; Eh | |||
 | 17-Dec-2025 | /TSscis-Rtb4-2-2-2/TSscis-Rtb4-2-2-2-opt TSscis_Rtb4_2_2_2_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -1276.10742413590583; Eh | |||
 | 17-Dec-2025 | /TSprop-SCF3-2/TSprop-SCF3-2-opt TSprop_SCF3_2_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -2011.72343423282427; Eh | |||
 | 17-Dec-2025 | /TSprop-SCF3-1/TSprop-SCF3-1-opt TSprop_SCF3_1_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -2011.72963751046518; Eh | |||
 | 17-Dec-2025 | /TSprop-Rsb1-2/TSprop-Rsb1-2-opt TSprop_Rsb1_2_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -1586.40226595764034; Eh | |||
 | 17-Dec-2025 | /TSprop-Rsb1-1/TSprop-Rsb1-1-opt TSprop_Rsb1_1_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -1586.41045140112192; Eh | |||
 | 17-Dec-2025 | /TSdp-Rsb-3-2/TSdp-Rsb-3-2-opt TSdp_Rsb_3_2_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization TS | DFT | def2-SVP | -927.77889241528283; Eh |
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