Search
Add filters:
Use filters to refine the search results.
Collection hits:
| Collection Name |
|---|
| Re-Ru-POM |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2026 | bih | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | CC-PVDZ GEN | -690.840647220; Eh | |||
| 8-May-2026 | Mo6-2e_M1_TDDFT | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | td; ub3lyp | LANL2DZ CC-PVDZ GEN | -1836.2211477; Eh | |||
| 8-May-2026 | mo6-2e_M3 | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | ub3lyp | LANL2DZ CC-PVDZ GEN | -1836.22152415; Eh | |||
| 8-May-2026 | hteoa-coo_zwitter | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | CC-PVDZ GEN | -706.741539474; Eh | |||
| 8-May-2026 | mo6-1e | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | LANL2DZ CC-PVDZ GEN | -1836.09910711; Eh | |||
| 8-May-2026 | hteoa | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | CC-PVDZ GEN | -518.588696079; Eh | |||
| 8-May-2026 | h2o | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | CC-PVDZ GEN | -76.4272961237; Eh | |||
| 8-May-2026 | co2 | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | CC-PVDZ GEN | -188.602217580; Eh | |||
| 8-May-2026 | co | Solé Daura, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | b3lyp | CC-PVDZ GEN | -113.322729756; Eh |
Results 2391-2400 of 2450 (Search time: 0.001 seconds).
Discover
Subject