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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-99-lig/3l-phdavephos-99-lig-opt 3l-phdavephos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1399.01800388; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-25-ts-t5-t6/3l-phdavephos-25-ts-t5-t6-orcasp 3l-phdavephos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.07432238; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-02-ts-rxt-c1/3m-cyjohnphos-02-ts-rxt-c1-orcasp 3m-cyjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.39114536; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-00-lpdoh2/3m-cyjohnphos-00-lpdoh2-orcasp 3m-cyjohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3100.23085251; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-01-rxt/3m-cyjohnphos-01-rxt-orcasp 3m-cyjohnphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.42666961; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-99-lig/3l-phdavephos-99-lig-orcasp 3l-phdavephos-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1397.71452033; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-25-ts-t5-t6/3l-phdavephos-25-ts-t5-t6-opt 3l-phdavephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.55067442; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-23-ts-c5-c6/3l-phdavephos-23-ts-c5-c6-opt 3l-phdavephos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.54456254; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-24-t5/3l-phdavephos-24-t5-opt 3l-phdavephos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.56770809; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-22-c5/3l-phdavephos-22-c5-opt 3l-phdavephos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.59023013; Eh |
Results 4311-4320 of 5215 (Search time: 0.002 seconds).