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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9h-pme3/9h-pme3-14-ts-t1-t2 9h-pme3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1300.78105277; Eh | |||
 | 7-Aug-2024 | /2j-ptbu3/2j-ptbu3-00-lpdoh2 2j-ptbu3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2186.02206714; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-01-rxt 3b-phjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.54483540; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-05-c2 9e-pcbu3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.25879885; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-13-t1 9d-mejohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.78974528; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-47-oacu-ref 2g-pcy3-47-oacu-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3255.77806939; Eh | |||
 | 7-Aug-2024 | /3l-tbumephos/3l-tbumephos-04-ts-c1-c2 3l-tbumephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.38805500; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-16-t2-h2o 9d-mejohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1799.11584199; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-20-ts-t3-t4 2i-ptbu2cy-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1555.39386190; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-17-ts-t2-t3 3e-cymephos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.27836975; Eh |
Results 2431-2440 of 5215 (Search time: 0.004 seconds).