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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-75-ts-hc1-hc2 2j-ptbu3-75-ts-hc1-hc2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.72079238; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-11-c4 9a-cbujohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1780.00309949; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-13-t1 3b-phjohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.54400455; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-18-t3-boh3 3j-brettphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.72904274; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-00-lpdoh2 2k-pad3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3572.73646966; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-03-c1 9f-pcpr3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.92835614; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-09-c3 3b-phjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1927.66858570; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-01-rxt 3r-adbrettphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.58689909; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-78-hc3 2g-pcy3-78-hc3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2194.60221320; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-19-t3 9f-pcpr3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.76936966; Eh |
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