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-Oct-2021 | /cyc/ox2 s_cyc_34_34_2_110-110 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.4273165; Eh | ||||
2-Oct-2021 | /cyc/ox2 d_cyc_12_43_2_x01-111 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.4064961; Eh | ||||
2-Oct-2021 | /cyc/ox2 d_cyc_34_67_2_111-10x | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.3838233; Eh | ||||
2-Oct-2021 | /cyc/ox2 s_cyc_23_43_2_101-011 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.4120134; Eh | ||||
2-Oct-2021 | /cyc/ox2 s_cyc_34_45_2_011-1x1 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.4116361; Eh | ||||
2-Oct-2021 | /cyc/ox2 z_cyc_23_43_2_111-010 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.3902828; Eh | ||||
2-Oct-2021 | /cyc/ox2 d_cyc_23_43_2_100-111 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.3960972; Eh | ||||
2-Oct-2021 | /cyc/ox2 s_cyc_34_54_2_101-1x1 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.400984; Eh | ||||
2-Oct-2021 | /cyc/ox2 s_cyc_34_43_2_011-011 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.4616408; Eh | ||||
2-Oct-2021 | /cyc/ox2 s_cyc_12_17_2_x11-x11 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.3524575; Eh |
Results 741-750 of 780 (Search time: 0.001 seconds).
Discover
Subject
Method
- 780 RCAM-B3LYP
- 780 TD-FC