Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-17-ts-t2-t3 3j-brettphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.77407742; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-03-c1 3a-iprjohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.72125550; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-02-ts-rxt-c1 2e-pipr3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1534.55317761; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-14-ts-t1-t2 2d-potol3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.48391234; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-17-ts-t2-t3 9d-mejohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1797.25949097; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-00-lpdoh2 3p-me4tbuxphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3809.97542480; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-20-ts-t3-t4 9e-pcbu3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1472.78390152; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-09-c3 9c-etjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.72476007; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-84-lig 3l-tbumephos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1156.09120844; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-06-c2-h2o 3q-adjohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.19702449; Eh |
Results 1771-1780 of 5215 (Search time: 0.004 seconds).