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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-17-ts-t2-t3 3l-tbumephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.46888125; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-58-c2alt 2j-ptbu3-58-c2alt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1652.10315625; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-03-c1 3l-tbumephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1995.18682718; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-13-t1 2i-ptbu2cy-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.26795719; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-05-c2 3g-sphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.92217038; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-18-t3-boh3 3l-tbumephos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.73806866; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-06-c2-h2o 3h-ruphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2574.68812989; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-13-t1 3j-brettphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.48458925; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-45-p1-h2o 9a-cbujohnphos-45-p1-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2892.49553069; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-44-ts-t3-p1 9h-pme3-44-ts-t3-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1584.24242013; Eh |
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