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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-21-t4 9f-pcpr3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1356.77537899; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-42-p1 9e-pcbu3-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2208.22006989; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-07-ts-c2-c3 2i-ptbu2cy-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1805.56454871; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-00-lpdoh2 3r-adbrettphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -4879.64504594; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-23-ts-c5-c6 3i-xphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.23438239; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-19-t3 2d-potol3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.85259389; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-24-t5 2e-pipr3-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1610.82850794; Eh | |||
 | 7-Aug-2024 | /2j-ptbu3/2j-ptbu3-72-ts-c2-naphboh2-hc1 2j-ptbu3-72-ts-c2-naphboh2-hc1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2214.77121489; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-61-ts-t3rh-t3ob 3o-tbubrettphos-61-ts-t3rh-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.90507817; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-23-ts-c5-c6 2k-pad3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.66279733; Eh |
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