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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 7-Apr-2019 | /Catalytic_cycle_3 I3_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4763.66090623; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 stransEBromoCinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2995.77735579; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 I3_Re_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95481147; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 I3_Re_Up_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.96020655; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 scisEBromoCinnamaldehyde | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2995.77566065; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_1 (3S,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.12691067; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_2 (3R,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.13080652; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 T4Syn_Re_Down_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point TS | RM062X | - | -4622.89890072; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_3 2-PhenylTropone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -575.932614077; Eh | ||||
| 7-Apr-2019 | /Catalytic_cycle_1 I2I_Et3NHBF4_Cis_1 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -2190.36242457; Eh |
Results 25141-25150 of 104445 (Search time: 0.015 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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