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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-05-c2/3z-adjohnphos-05-c2-orcasp 3z-adjohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.14993101; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-09-c3/3z-adjohnphos-09-c3-orcasp 3z-adjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.46526474; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-02-ts-rxt-c1/3z-adjohnphos-02-ts-rxt-c1-opt 3z-adjohnphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.82803000; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-04-ts-c1-c2/3z-adjohnphos-04-ts-c1-c2-opt 3z-adjohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.83073393; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-01-rxt/3z-adjohnphos-01-rxt-opt 3z-adjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.85847612; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-03-c1/3z-adjohnphos-03-c1-opt 3z-adjohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.83760227; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-05-c2/3z-adjohnphos-05-c2-opt 3z-adjohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.89356665; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-02-ts-rxt-c1/3z-adjohnphos-02-ts-rxt-c1-orcasp 3z-adjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.08495130; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-04-ts-c1-c2/3z-adjohnphos-04-ts-c1-c2-orcasp 3z-adjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.07633456; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-01-rxt/3z-adjohnphos-01-rxt-orcasp 3z-adjohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.11514706; Eh |
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