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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3r-xphos/3r-xphos-07-ts-c2-c3/3r-xphos-07-ts-c2-c3-orcasp 3r-xphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.29972787; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-21-t4/3l-phdavephos-21-t4-orcasp 3l-phdavephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2061.18875796; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-84-t3-boh3h2o/3w-tbuxphos-84-t3-boh3h2o-opt 3w-tbuxphos-84-t3-boh3h2o | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2463.91710666; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-09-c3/3h-ptbu3-09-c3-orcasp 3h-ptbu3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1476.42755304; Eh | |||
 | 26-Jan-2025 | /3g-ptbu2cy/3g-ptbu2cy-16-t2-h2o/3g-ptbu2cy-16-t2-h2o-orcasp 3g-ptbu2cy-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1805.54155228; Eh | |||
 | 26-Jan-2025 | /unlig-pdoh2/unlig-pdoh2-01-rxt/unlig-pdoh2-01-rxt-orcasp unlig-pdoh2-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.42157321; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cne14-et1/3h-ptbu3-6cne14-et1-orcasp 3h_ptbu3_6cne14_et1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1977.94270862; Eh |
Results 5921-5927 of 5927 (Search time: 0.006 seconds).