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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-14-ts-t1-t2 9f-pcpr3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.49494291; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-05-c2 3n-tbuxphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.30964886; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-84-lig 2i-ptbu2cy-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -890.917026927; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-21-t4 3g-sphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.65118903; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-09-c3 9a-cbujohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1777.99703688; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-05-c2 3l-tbumephos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.25457853; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-05-c2 2h-pcy2tbu-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.50698818; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-21-t4 3f-davephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.29966857; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-06-c2-h2o 3o-tbubrettphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.23703396; Eh | |||
 | 7-Aug-2024 | /2f-pcpt3/2f-pcpt3-39-t2-lig 2f-pcpt3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2695.81580486; Eh |
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