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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-06-c2-h2o 3c-phdavephos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.60339437; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-15-t2 2g-pcy3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.73006366; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-60-t3ob 3o-tbubrettphos-60-t3ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2152.39742514; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-18-t3-boh3 2j-ptbu3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.34545107; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-09-c3 3q-adjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.46526474; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-08-c3-boh3 3i-xphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.30729020; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-11-c4 3l-tbumephos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.53329980; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-03-c1 3n-tbuxphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.59947963; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-08-c3-boh3 3p-me4tbuxphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.52937152; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-08-c3-boh3 9e-pcbu3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1726.56966653; Eh |
Results 1781-1790 of 5215 (Search time: 0.004 seconds).