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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-15-t2/3u-tbumephos-15-t2-orcasp 3u-tbumephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.22889427; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-12-ts-rxt-t1/3u-tbumephos-12-ts-rxt-t1-opt 3u-tbumephos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.38936927; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-14-ts-t1-t2/3u-tbumephos-14-ts-t1-t2-opt 3u-tbumephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.39458749; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-11-c4/3u-tbumephos-11-c4-opt 3u-tbumephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.66257402; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-13-t1/3u-tbumephos-13-t1-opt 3u-tbumephos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.40838949; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-12-ts-rxt-t1/3u-tbumephos-12-ts-rxt-t1-orcasp 3u-tbumephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.19491432; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-14-ts-t1-t2/3u-tbumephos-14-ts-t1-t2-orcasp 3u-tbumephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.19270476; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-10-ts-c3-c4/3u-tbumephos-10-ts-c3-c4-orcasp 3u-tbumephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.51426465; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-11-c4/3u-tbumephos-11-c4-orcasp 3u-tbumephos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.53329980; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-13-t1/3u-tbumephos-13-t1-orcasp 3u-tbumephos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.20632612; Eh |
Results 3731-3740 of 5215 (Search time: 0.005 seconds).