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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Jun-2021 | mol_48 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1723936; Eh | |||
 | 16-Jun-2021 | dph_diyne_89_5 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -614.968850905; Eh | |||
 | 16-Jun-2021 | dph_diyne_15 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -614.9693823; Eh | |||
 | 16-Jun-2021 | allene_linked7 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-311G(D,P) | -272.374654367; Eh | |||
 | 16-Jun-2021 | cyclopentadiene | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-311G(D,P) | -193.886599880; Eh | |||
 | 16-Jun-2021 | pde | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-311G(D,P) | -271.076336150; Eh | |||
 | 16-Jun-2021 | mol_156 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1845042; Eh | |||
 | 16-Jun-2021 | mol_120 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1633485; Eh | |||
 | 16-Jun-2021 | mol_24 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1844983; Eh | |||
 | 16-Jun-2021 | dph_diyne_45 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | 6-311G(D,P) | -614.969139711; Eh |
Results 201-210 of 316 (Search time: 0.002 seconds).
Discover
Subject