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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Jul-2026 | /AB-DB Sulphonamides - Sulfametomidine -1 Sulphonamides - Sulfametomidine -1 elec-pot | Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | #B3LYP | 6-31G(D,P) | -1307.9911555; Eh | |||
 | 2-Jul-2026 | /AB-DB Macrolides - Tilmicosin +2 Macrolides - Tilmicosin +2 opt-freq | Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | 6-31G(D,P) | -2889.39659569; Eh | |||
 | 2-Jul-2026 | /AB-DB Macrolides - Tilmicosin +2 Macrolides - Tilmicosin +2 elec-pot | Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | #B3LYP | 6-31G(D,P) | -2889.162326; Eh |
Results 403351-403353 of 403353 (Search time: 0.22 seconds).
Discover
Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
- next >