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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-04-ts-c1-c2/3u-tbumephos-04-ts-c1-c2-opt 3u-tbumephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.38805500; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-03-c1/3u-tbumephos-03-c1-opt 3u-tbumephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.39571974; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-05-c2/3u-tbumephos-05-c2-opt 3u-tbumephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.44915670; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-02-ts-rxt-c1/3u-tbumephos-02-ts-rxt-c1-orcasp 3u-tbumephos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.19038002; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-04-ts-c1-c2/3u-tbumephos-04-ts-c1-c2-orcasp 3u-tbumephos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.18431204; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-01-rxt/3u-tbumephos-01-rxt-orcasp 3u-tbumephos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.22096192; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-03-c1/3u-tbumephos-03-c1-orcasp 3u-tbumephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.18682718; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-05-c2/3u-tbumephos-05-c2-orcasp 3u-tbumephos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.25457853; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-85-c2dim/3t-tbujohnphos-85-c2dim-opt 3t-tbujohnphos-85-c2dim-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3412.35930821; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-58-c2alt/3t-tbujohnphos-58-c2alt-opt 3t-tbujohnphos-58-c2alt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.21387436; Eh |
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