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. |
---|---|---|---|---|---|---|---|---|---|---|---|
3-Oct-2021 | /cyc//cyc ox2 s_cyc_17_43_2_x11-110 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.4368834; Eh | ||||
3-Oct-2021 | /cyc//cyc ox2 z_cyc_17_32_2_x01-111 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.376276; Eh | ||||
3-Oct-2021 | /cyc//cyc ox2 s_cyc_17_34_2_x11-110 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.4282405; Eh | ||||
3-Oct-2021 | /cyc//cyc ox0 s_cyc_17_17_0_x00-x00 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1025.8831676; Eh | ||||
3-Oct-2021 | /cyc//cyc ox2 s_cyc_12_43_2_x11-011 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.3996802; Eh | ||||
3-Oct-2021 | /cyc//cyc ox0 s_cyc_17_43_0_x00-000 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1025.9383137; Eh | ||||
3-Oct-2021 | /cyc//cyc ox2 d_cyc_34_54_2_111-1x0 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.3935326; Eh | ||||
3-Oct-2021 | /cyc//cyc ox2 s_cyc_23_34_2_011-110 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.3852743; Eh | ||||
3-Oct-2021 | /cyc//cyc ox0 s_cyc_17_71_0_x00-x00 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1025.9160274; Eh | ||||
3-Oct-2021 | /cyc//cyc ox0 s_cyc_23_34_0_000-000 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1025.9038993; Eh |
Results 801-810 of 830 (Search time: 0.001 seconds).
Discover
Subject
Method
- 830 RCAM-B3LYP
- 830 TD-FC