Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 7-Apr-2019 | /Catalytic_cycle_2 (3S,3aS)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.13243552; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 I3_Si_Down_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.95382283; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T4Anti_Si_Down_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Single point TS | RM062X | - | -4622.88871741; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_1 (3R,3aR)-Furanone | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1227.13080652; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_2 T4Anti_Re_Up_Trans_2 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -1818.79566000; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 I1_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.92361524; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 I1_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -4046.92917419; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T1_Trans_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4046.91417336; Eh | |||
![]() | 7-Apr-2019 | /Common_species I0 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -1767.84974492; Eh | |||
![]() | 7-Apr-2019 | /Catalytic_cycle_3 T1_Cis_3 | Fianchini, Mauro | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -4046.91867213; Eh |
Results 31-40 of 194 (Search time: 0.001 seconds).
Discover
Subject
- 194 Asymmetric catalysis
- 194 Cycloaddition
- 194 NHC catalysis
Program name
- 194 Gaussian
Calculation type
Method
- 194 RM062X