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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9g-pet3/9g-pet3-16-t2-h2o 9g-pet3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1493.32913615; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-00-lpdoh2 3l-tbumephos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2869.81750362; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-15-t2 3p-me4tbuxphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.31257987; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-05-c2 3h-ruphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.64630481; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-22-c5 3h-ruphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.88933751; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-23-ts-c5-c6 3k-tbujohnphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.46172833; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-17-ts-t2-t3 3b-phjohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.84694489; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-10-ts-c3-c4 3d-cyjohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1936.98263414; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-10-ts-c3-c4 2j-ptbu3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1478.09728886; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-50-cl-ref 3k-tbujohnphos-50-cl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2512.58495647; Eh |
Results 1721-1730 of 5215 (Search time: 0.001 seconds).