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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-73-hc1-boh3 2g-pcy3-73-hc1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2446.66816394; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-17-ts-t2-t3 2g-pcy3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.02001376; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-22-c5 3q-adjohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.17934124; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-19-t3 3q-adjohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.11411352; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-40-ts-t2-p1 2g-pcy3-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2928.13828892; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-21-t4 2d-potol3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.85144885; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-24-t5 2f-pcpt3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.34864889; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-04-ts-c1-c2 3c-phdavephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.23614624; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-37-yb 3a-iprjohnphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.03402282; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-09-c3 9a-cbujohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1780.02469913; Eh |
Results 1241-1250 of 5215 (Search time: 0.003 seconds).