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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-32-ts-xb-t3 3p-me4tbuxphos-32-ts-xb-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2289.62433315; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-23-ts-c5-c6 3r-adbrettphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.34641317; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-17-ts-t2-t3 3n-tbuxphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.87231456; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-18-t3-boh3 3c-phdavephos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.12396369; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-03-c1 2i-ptbu2cy-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1731.14512987; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-83-lpd0 2j-ptbu3-83-lpd0-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -941.576017249; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-03-c1 9h-pme3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1300.80010328; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-68-ts-t3ob-2h2o-t4ob 3n-tbuxphos-68-ts-t3ob-2h2o-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2076.45580821; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-33-ts-rxt-ya 3r-adbrettphos-33-ts-rxt-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3000.10832269; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-02-ts-rxt-c1 2i-ptbu2cy-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.24967891; Eh |
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