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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /Benzofuran TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4035.74913407; Eh | |||
 | 19-Sep-2022 | /Common_Structures Succinimide_Bpin | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -770.507343368; Eh | |||
 | 19-Sep-2022 | /Common_Structures Succinimide_anion | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -359.761280836; Eh | |||
 | 19-Sep-2022 | /Thiophene IM1B_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3845.53185221; Eh | |||
 | 19-Sep-2022 | /Common_Structures NBS | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2933.51846931; Eh | |||
 | 19-Sep-2022 | /Thiophene IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4205.30216409; Eh | |||
 | 19-Sep-2022 | /Common_Structures I2_dimer | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1190.52258133; Eh | |||
 | 19-Sep-2022 | /Common_Structures I3_anion | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -893.073921669; Eh | |||
 | 19-Sep-2022 | /Common_Structures I2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -595.258454979; Eh | |||
 | 19-Sep-2022 | /Thiophene IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1271.69896575; Eh |
Results 81-90 of 108 (Search time: 0.001 seconds).