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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /2k-pad3/2k-pad3-17-ts-t2-t3 2k-pad3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.67256750; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-05-c2 3c-phdavephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.29479363; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-24-t5 2c-pph3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1951.22680302; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-09-c3 2j-ptbu3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1476.42755304; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-11-c4 3e-cymephos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.92273994; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-19-t3 9h-pme3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1123.87184184; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-59-ts-t2-t3rh 3p-me4tbuxphos-59-ts-t2-t3rh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.17062391; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-03-c1 3m-tbudavephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2091.86636445; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-03-c1 3c-phdavephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.24481971; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-15-t2 9b-cptjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.27588172; Eh |
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