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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-41-p1-boh3 9a-cbujohnphos-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3068.16974935; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-34-ya 3a-iprjohnphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.69158964; Eh | |||
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-51-tl-ref 3k-tbujohnphos-51-tl-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2515.25038053; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-20-ts-t3-t4 3m-tbudavephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.11859723; Eh | |||
 | 7-Aug-2024 | /3e-cymephos/3e-cymephos-08-c3-boh3 3e-cymephos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.33430624; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-bpinoh2 base-reactants-bpinoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -561.948316544; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-05-c2 2j-ptbu3-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.90323668; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-82-ts-hc4-lpd0 2j-ptbu3-82-ts-hc4-lpd0-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1708.57366185; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-41-p1-boh3 3d-cyjohnphos-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3381.72966429; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-20-ts-t3-t4 2k-pad3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2170.98585342; Eh |
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