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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2025 | ea_20250717_2as5l_GaH6N_NH3_GaH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -1982.55797506953513; Eh | |||
 | 7-Aug-2025 | ea_20250717_o58e4_AsGaH6_AsH3_GaH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -4162.48481255248225; Eh | |||
 | 7-Aug-2025 | ea_20250717_4z6j0_AlH6N_NH3_AlH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -300.37554218059597; Eh | |||
 | 7-Aug-2025 | ea_20250717_jtuhz_AlH6P_PH3_AlH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -586.26642982187889; Eh | |||
 | 7-Aug-2025 | ea_20250717_izr3b_AsH6B_AsH3_BH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -2263.21829519116272; Eh | |||
 | 7-Aug-2025 | ea_20250717_8u4wx_PH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -342.58955391544612; Eh | |||
 | 7-Aug-2025 | ea_20250717_mu3tv_GaH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -1926.07220247706755; Eh | |||
 | 7-Aug-2025 | ea_20250717_ukn0o_AlH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -243.86036819063466; Eh | |||
 | 7-Aug-2025 | ea_20250717_u101k_BH3 | Andrew, Wang | Orca; 6.0.1; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -26.56065104151025; Eh | |||
 | 17-Dec-2025 | /TSscis-Rtb4-2-2-2/TSscis-Rtb4-2-2-2-sp TSscis_Rtb4_2_2_2_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -1270.42702233885097; Eh |
Results 2911-2920 of 5927 (Search time: 0.005 seconds).