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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-15-t2 3r-adbrettphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3003.58908127; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-01-rxt 9f-pcpr3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.50933816; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-11-c4 2j-ptbu3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1478.11193349; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-20-ts-t3-t4 3f-davephos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.25589501; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-84-lig 3o-tbubrettphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1697.94931175; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-13-t1 2h-pcy2tbu-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.45752321; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-36-ts-rxt-yb 3r-adbrettphos-36-ts-rxt-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.86358132; Eh | |||
 | 7-Aug-2024 | /2f-pcpt3/2f-pcpt3-41-p1-boh3 2f-pcpt3-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2695.85591012; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-07-ts-c2-c3 2k-pad3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.71664807; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-21-t4 3a-iprjohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1703.98771639; Eh |
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