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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /9e-pcbu3/9e-pcbu3-40-ts-t2-p1 9e-pcbu3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2460.22363275; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-25-ts-t5-t6 3j-brettphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76532671; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-33-ts-rxt-ya 3a-iprjohnphos-33-ts-rxt-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.70598298; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-04-ts-c1-c2 3m-tbudavephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.85963170; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-20-ts-t3-t4 3b-phjohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1929.78288652; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-20-ts-t3-t4 3m-tbudavephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.11859723; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-79-ts-hc3-pd0boh3 2j-ptbu3-79-ts-hc3-pd0boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.72798617; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-32-ts-xb-t3 3n-tbuxphos-32-ts-xb-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.52591325; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-04-ts-c1-c2 2d-potol3-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.62851400; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-12-ts-rxt-t1 9a-cbujohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1955.71931766; Eh |
Results 21-30 of 374 (Search time: 0.002 seconds).