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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2d-potol3/2d-potol3-13-t1 2d-potol3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.49840942; Eh | |||
 | 7-Aug-2024 | /3c-phdavephos/3c-phdavephos-00-lpdoh2 3c-phdavephos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3356.81391159; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-52-cs-ref 2j-ptbu3-52-cs-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1400.05604952; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-13-t1 2g-pcy3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.72321019; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-42-p1 9h-pme3-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1509.39563329; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-84-lig 3l-tbumephos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1157.17293048; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-04-ts-c1-c2 3m-tbudavephos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.53971107; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-23-ts-c5-c6 3q-adjohnphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.32703198; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-06-c2-h2o 2f-pcpt3-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1842.40360994; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-05-c2 3e-cymephos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.64294558; Eh |
Results 1671-1680 of 5215 (Search time: 0.004 seconds).