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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Dec-2025 | /TSprop-Rsb1-1/TSprop-Rsb1-1-sp TSprop_Rsb1_1_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -1579.28464296819948; Eh | |||
 | 17-Dec-2025 | /TSprop-Rp1-2/TSprop-Rp1-2-sp TSprop_Rp1_2_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -1618.30621402317865; 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-sp TSdp_Rsb_3_2_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -923.66458324688324; Eh | |||
 | 17-Dec-2025 | /TSdp-Rsb-2-1/TSdp-Rsb-2-1-sp TSdp_Rsb_2_1_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -615.95718209512347; Eh | |||
 | 17-Dec-2025 | /TSprop-Rp1-1/TSprop-Rp1-1-sp TSprop_Rp1_1_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -1618.31116929243308; Eh | |||
 | 17-Dec-2025 | /TSdp-Rp-3-2/TSdp-Rp-3-2-sp TSdp_Rp_3_2_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -962.68462265579683; Eh |
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