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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3g-sphos/3g-sphos-03-c1 3g-sphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.85094698; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-09-c3 3i-xphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2287.36633641; Eh | |||
 | 7-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-39-t2-lig 9a-cbujohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3071.28330790; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-25-ts-t5-t6 2k-pad3-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2425.66307864; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-08-c3-boh3 2f-pcpt3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.35543919; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-09-c3 3c-phdavephos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2063.54066022; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-03-c1 2k-pad3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2349.36036858; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-25-ts-t5-t6 3m-tbudavephos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.79446849; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-14-ts-t1-t2 2i-ptbu2cy-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.25299408; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-00-lpdoh2 3c-phdavephos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3353.06367765; Eh |
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