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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-13-t1/3n-cymephos-13-t1-orcasp 3n-cymephos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.59537498; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-10-ts-c3-c4/3n-cymephos-10-ts-c3-c4-opt 3n-cymephos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.22093910; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-08-c3-boh3/3n-cymephos-08-c3-boh3-opt 3n-cymephos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.33430624; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-11-c4/3n-cymephos-11-c4-opt 3n-cymephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.23987326; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-09-c3/3n-cymephos-09-c3-opt 3n-cymephos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.26921614; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-07-ts-c2-c3/3n-cymephos-07-ts-c2-c3-orcasp 3n-cymephos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.89444691; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-10-ts-c3-c4/3n-cymephos-10-ts-c3-c4-orcasp 3n-cymephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.89875163; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-08-c3-boh3/3n-cymephos-08-c3-boh3-orcasp 3n-cymephos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.90335855; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-11-c4/3n-cymephos-11-c4-orcasp 3n-cymephos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.92273994; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-09-c3/3n-cymephos-09-c3-orcasp 3n-cymephos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.95811033; Eh |
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