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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-pcpr3-84-lig 9f-pcpr3-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -692.274983511; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-12-ts-rxt-t1 9a-cbujohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.62376261; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-16-t2-h2o 9c-etjohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1875.63439572; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-18-t3-boh3 9g-pet3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1493.32938752; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-11-c4 3q-adjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.42587016; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-04-ts-c1-c2 9f-pcpr3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.49824846; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-25-ts-t5-t6 2g-pcy3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.01330778; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-14-ts-t1-t2 3i-xphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.83774147; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-45-p1-h2o 2g-pcy3-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2752.51328521; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-39-t2-lig 9e-pcbu3-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2457.81775136; Eh |
Results 1711-1720 of 5215 (Search time: 0.002 seconds).