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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-61-ts-t3rh-t3ob 3n-tbuxphos-61-ts-t3rh-t3ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.63956975; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-16-t2-h2o 9f-pcpr3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1607.21427983; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-00-lpdoh2 2d-potol3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2860.39778240; Eh | |||
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-03-int1 unlig-pdoh2-03-int1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.41431623; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-11-c4 9a-cbujohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1777.96483426; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-01-rxt 3n-tbuxphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.62998304; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-13-t1 9f-pcpr3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1530.93951488; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-11-c4 2f-pcpt3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1590.42471569; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-54-cw-ref 3d-cyjohnphos-54-cw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1628.16088282; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-14-ts-t1-t2 2e-pipr3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.17200344; Eh |
Results 2141-2150 of 5215 (Search time: 0.005 seconds).