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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /2k-pad3/2k-pad3-09-c3 2k-pad3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.65966527; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-16-t2-h2o 3d-cyjohnphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.69255767; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-31-xb 3n-tbuxphos-31-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2056.71049447; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-15-t2 3g-sphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.88951967; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-06-c2-h2o 2e-pipr3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.53798732; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-84-lig 2k-pad3-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1509.13624734; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-14-ts-t1-t2 3m-tbudavephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.54885735; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-17-ts-t2-t3 3f-davephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.19935321; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-06-c2-h2o 2k-pad3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.97954680; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-08-c3-boh3 3j-brettphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.74986736; Eh |
Results 1641-1650 of 5215 (Search time: 0.003 seconds).