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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-67-t3ob-2h2o 3p-me4tbuxphos-67-t3ob-2h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2233.16659287; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-40-ts-t2-p1 9b-cptjohnphos-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3224.93245179; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-17-ts-t2-t3 3i-xphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.26032442; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-10-ts-c3-c4 3h-ruphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2319.89846356; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-15-t2 2i-ptbu2cy-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.28444114; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-40-ts-t2-p1 9f-pcpr3-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2224.81729390; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-07-ts-c2-c3 3b-phjohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.89183032; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-08-c3-boh3 2g-pcy3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.07729982; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-13-t1 2e-pipr3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1536.18891642; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-03-c1 9b-cptjohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.03092777; Eh |
Results 2171-2180 of 5215 (Search time: 0.003 seconds).