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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Dec-2025 | /ethylbenzene/ethylbenzene-opt ethylbenzene_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -310.28141763555163; Eh | |||
 | 17-Dec-2025 | /A3/A3-sp A3_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -962.16426355866361; Eh | |||
 | 17-Dec-2025 | /A3/A3-opt A3_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -966.47144455461591; Eh | |||
 | 17-Dec-2025 | /A2/A2-sp A2_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -654.45568067957902; Eh | |||
 | 17-Dec-2025 | /A2/A2-opt A2_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -657.38225106960533; Eh | |||
 | 17-Dec-2025 | /A1/A1-sp A1_sp | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Single point | DLPNO-CCSD(T1) | def2-TZVP; def2-TZVP/C | -346.74309624975399; Eh | |||
 | 17-Dec-2025 | /A1/A1-opt A1_opt | Ser, Cher Tian | Orca; 6.0.0; RELEASE | Geometry optimization Minimum | DFT | def2-SVP | -348.29285528640213; Eh |
Results 5921-5927 of 5927 (Search time: 0.005 seconds).