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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-14-ts-t1-t2 9c-etjohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.24077069; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-40-ts-t2-p1 2g-pcy3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2931.24025478; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-20-ts-t3-t4 3e-cymephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.21928882; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-40-ts-t2-p1 2e-pipr3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2232.16891463; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-02-ts-rxt-c1 3f-davephos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.43094667; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-25-ts-t5-t6 2d-potol3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.92369098; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-17-ts-t2-t3 3g-sphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.68220140; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-07-ts-c2-c3 3m-tbudavephos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.21806549; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-25-ts-t5-t6 2j-ptbu3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.15261711; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-04-ts-c1-c2 3q-adjohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.83073393; Eh |
Results 41-50 of 374 (Search time: 0.002 seconds).