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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-01-rxt 3a-iprjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.72528986; Eh | |||
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-01-rxt unlig-pdoh2-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1401.04529526; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-30-ts-t2-xb 3p-me4tbuxphos-30-ts-t2-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.29148125; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-44-ts-t3-p1 9b-cptjohnphos-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3049.27167997; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-25-ts-t5-t6 3p-me4tbuxphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.52098176; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-59-ts-t2-t3rh 3n-tbuxphos-59-ts-t2-t3rh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.59135838; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-02-ts-rxt-c1 3a-iprjohnphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.69884940; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-03-c1 3d-cyjohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.73739546; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-15-t2 2i-ptbu2cy-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1731.16283676; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-24-t5 2e-pipr3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.48667720; Eh |
Results 1521-1530 of 5823 (Search time: 0.003 seconds).