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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-18-t3-boh3 3n-tbuxphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.60349032; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-03-c1 9c-etjohnphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.26142084; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-19-t3 2e-pipr3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1360.44579720; Eh | |||
 | 7-Aug-2024 | /3l-tbumephos/3l-tbumephos-19-t3 3l-tbumephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.67418962; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-55-tw-ref 2g-pcy3-55-tw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.58652595; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-00-lpdoh2 2i-ptbu2cy-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2337.93472382; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-21-t4 9f-pcpr3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1355.29487920; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-08-c3-boh3 3l-tbumephos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.75546700; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-07-ts-c2-c3 2e-pipr3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.53177921; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-14-ts-t1-t2 2k-pad3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2349.35816220; Eh |
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