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. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jul-2019 | /pm7/propylene_carbonate hemicarbonate | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -0.388629199435; Eh | ||||
24-Jul-2019 | /pm7/propylene_carbonate propylene_carbonate | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -0.216763889026; Eh | ||||
24-Jul-2019 | /pm7/propylene_carbonate ts1 | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | - | VSTO-6G ZDO | -0.326085461755; Eh | ||||
24-Jul-2019 | /pm7/propylene_carbonate ts2 | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | - | VSTO-6G ZDO | -0.360386793601; Eh | ||||
24-Jul-2019 | /pm7/propylene_carbonate tma | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | 0.126753098953; Eh | ||||
24-Jul-2019 | /pm7/toluene br_anion | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -0.146559693852; Eh | ||||
24-Jul-2019 | /pm7/propylene_carbonate propylene_oxide | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | - | ||||
24-Jul-2019 | /pm7/toluene co2 | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -0.134770358358; Eh | ||||
24-Jul-2019 | /pm7/propylene_carbonate tmabr | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | - | ||||
24-Jul-2019 | /pm7/toluene propylene_carbonate | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -0.212551588113; Eh |
Results 1-10 of 140 (Search time: 0.002 seconds).
Discover
Subject
- 140 cyclic carbonate
- 140 epoxide
- 140 metadynamics
- 140 semiempirical methods
- 87 co2 fixation
- 87 organocatalysis
- 53 CO2 fixation
- 53 Organocatalysis
Program name
- 140 Gaussian
Calculation type