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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-10-ts-c3-c4 2h-pcy2tbu-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1632.68444832; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-20-ts-t3-t4 9a-cbujohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1779.97471470; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-10-ts-c3-c4 3e-cymephos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.22093910; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-02-ts-rxt-c1 3o-tbubrettphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.85849850; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-35-ts-ya-c1 3j-brettphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.46347566; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-07-ts-c2-c3 9f-pcpr3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1608.85250011; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-10-ts-c3-c4 2c-pph3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.16816928; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-12-ts-rxt-t1 3a-iprjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.70573320; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-10-ts-c3-c4 3l-tbumephos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.64629518; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-17-ts-t2-t3 3q-adjohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.14596922; Eh |
Results 51-60 of 374 (Search time: 0.003 seconds).