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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-May-2022 | Propylamine | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-311++G(D,P) | -174.486149169; Eh | |||
 | 20-May-2022 | Post-reactive_complex_–_TS6_(int3) | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-311++G(D,P) | -867.323564487; Eh | |||
 | 20-May-2022 | Pre-reactive_complex_–_TS5_(int2) | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-311++G(D,P) | -867.309947047; Eh | |||
 | 20-May-2022 | Pre-reactive_complex_–_TS7_(int3) | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-311++G(D,P) | -867.320823658; Eh | |||
 | 20-May-2022 | Pre-reactive_complex_–_TS6_(int2) | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-311++G(D,P) | -867.309407199; Eh | |||
 | 20-May-2022 | Post-reactive_complex_–_TS5_(2) | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-311++G(D,P) | -867.330127362; Eh | |||
 | 20-May-2022 | Imine_(3) | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-311++G(D,P) | -445.052256955; Eh | |||
 | 20-May-2022 | CO2 | Habets, Thomas | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-311++G(D,P) | -188.581209604; Eh |
Results 21-28 of 28 (Search time: 0.001 seconds).