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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9g-pet3/9g-pet3-40-ts-t2-p1 9g-pet3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1996.78733296; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-10-ts-c3-c4 3h-ruphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.56748105; Eh | |||
 | 7-Aug-2024 | /3e-cymephos/3e-cymephos-22-c5 3e-cymephos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.32505586; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-11-c4 2i-ptbu2cy-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1555.41311272; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-25-ts-t5-t6 2e-pipr3-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.81571017; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-22-c5 2i-ptbu2cy-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1805.54805521; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-01-rxt 3g-sphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.87905600; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-37-yb 3i-xphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.27432639; Eh | |||
 | 7-Aug-2024 | /2j-ptbu3/2j-ptbu3-71-c2-naphboh2 2j-ptbu3-71-c2-naphboh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2214.78466855; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-02-ts-rxt-c1 2h-pcy2tbu-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.42248830; Eh |
Results 1681-1690 of 5215 (Search time: 0.003 seconds).