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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee02-ts-ecrxt-ec1/3h-ptbu3-6omee02-ts-ecrxt-ec1-opt 3h_ptbu3_6omee02_ts_ecrxt_ec1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.35427012; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee04-ts-ec1-ec2/3h-ptbu3-6omee04-ts-ec1-ec2-opt 3h_ptbu3_6omee04_ts_ec1_ec2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.35025092; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee01-ecrxt/3h-ptbu3-6omee01-ecrxt-opt 3h_ptbu3_6omee01_ecrxt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.36825513; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee03-ec1/3h-ptbu3-6omee03-ec1-opt 3h_ptbu3_6omee03_ec1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.35819726; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6ome21-t4/3h-ptbu3-6ome21-t4-opt 3h_ptbu3_6ome21_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.44602343; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee02-ts-ecrxt-ec1/3h-ptbu3-6omee02-ts-ecrxt-ec1-orcasp 3h_ptbu3_6omee02_ts_ecrxt_ec1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2000.14853422; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee01-ecrxt/3h-ptbu3-6omee01-ecrxt-orcasp 3h_ptbu3_6omee01_ecrxt | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2000.16071730; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee03-ec1/3h-ptbu3-6omee03-ec1-orcasp 3h_ptbu3_6omee03_ec1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2000.14799947; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6ome21-t4/3h-ptbu3-6ome21-t4-orcasp 3h_ptbu3_6ome21_t4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1590.64782058; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6ome20-ts-t3-t4/3h-ptbu3-6ome20-ts-t3-t4-opt 3h_ptbu3_6ome20_ts_t3_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.41849811; Eh |
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