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 | /9b-cptjohnphos/9b-cptjohnphos-12-ts-rxt-t1 9b-cptjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.03847269; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-16-t2-h2o 2e-pipr3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.84445312; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-14-ts-t1-t2 3g-sphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.85415722; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-03-c1 3b-phjohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.28355164; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-05-c2 9c-etjohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.40380056; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-84-lig 2j-ptbu3-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -812.94036006; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-18-t3-boh3 2h-pcy2tbu-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.76013413; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-01-rxt 2g-pcy3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.72860183; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-31-xb 3n-tbuxphos-31-xb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2059.24763438; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-41-p1-boh3 3a-iprjohnphos-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2916.29793681; Eh |
Results 441-450 of 5215 (Search time: 0.001 seconds).