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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-05-c2 9c-etjohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.30555999; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-19-t3 3f-davephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.71615001; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-10-ts-c3-c4 9a-cbujohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1777.94225501; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-05-c2 9b-cptjohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.09457786; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-15-t2 3i-xphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2463.02645842; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-07-ts-c2-c3 3q-adjohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.18791948; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-55-tw-ref 2j-ptbu3-55-tw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1169.28206682; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-08-c3-boh3 3c-phdavephos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.60904607; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-39-t2-lig 9g-pet3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1996.80003054; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-01-rxt 9e-pcbu3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.21961538; Eh |
Results 1811-1820 of 5215 (Search time: 0.004 seconds).