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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_4 scisECrotonaldehyde_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -230.949969665; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 I3_Si_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1282.12183137; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 T4Anti_Si_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.05564517; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 T4Syn_Si_Up_Trans_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1858.04721738; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 T4Syn_Si_Up_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | - | -1858.07168128; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_4 T4Anti_Si_Up_Cis_4 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point TS | RM062X | - | -1858.06339271; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T4Anti_Si_Up_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4622.88540167; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T2_Et3NHBF4_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4763.63566518; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T4Syn_Si_Down_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point TS | RM062X | - | -4622.88828927; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_2 (3R,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -767.682290147; Eh |
Results 21-30 of 194 (Search time: 0.001 seconds).
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Subject
- 194 Annulation
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 Microkinetic model
Program name
- 194 Gaussian
Calculation type
Method
- 194 RM062X