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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-pet3-08-c3-boh3 9g-pet3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1493.36708649; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-19-t3 9a-cbujohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1777.98478148; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-19-t3 3b-phjohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1927.65536621; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-62-t3ob-rh 3o-tbubrettphos-62-t3ob-rh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.92223017; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-57-koh-ref 3k-tbujohnphos-57-koh-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2072.69084481; Eh | |||
 | 7-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-25-ts-t5-t6 3m-tbudavephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.17115515; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-10-ts-c3-c4 9c-etjohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.49793988; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-00-lpdoh2 9c-etjohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2480.80854978; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-84-lig 3p-me4tbuxphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1627.95631123; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-09-c3 9g-pet3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1242.78388865; Eh |
Results 2371-2380 of 5215 (Search time: 0.002 seconds).