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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-pet3-02-ts-rxt-c1 9g-pet3-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.03316785; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-18-t3-boh3 9b-cptjohnphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2108.33527842; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-17-ts-t2-t3 2g-pcy3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.90454137; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-08-c3-boh3 2i-ptbu2cy-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1805.57148496; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-00-lpdoh2 3k-tbujohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2794.63887733; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-00-lpdoh2 3h-ruphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3874.96338168; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-22-c5 2g-pcy3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.06450240; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-00-lpdoh2 3a-iprjohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2634.79583405; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-07-ts-c2-c3 2g-pcy3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1959.94607776; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-25-ts-t5-t6 3g-sphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.10509014; Eh |
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