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 | /lin/ox2 s_lin_c_33_2_101-101 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6309309; Eh | |||
![]() | 2-Oct-2021 | /lin/ox2 s_lin_t_27_2_101-101 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6239247; Eh | |||
![]() | 2-Oct-2021 | /lin/ox1 d_lin_c_23_1_001-100 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1025.9051083; Eh | |||
![]() | 2-Oct-2021 | /lin/ox1 z_lin_t_77_1_010-001 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1025.8603833; Eh | |||
![]() | 2-Oct-2021 | /lin/ox1 s_lin_c_33_1_011-000 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1025.8970861; Eh | |||
![]() | 2-Oct-2021 | /lin/ox2 s_lin_c_47_2_011-101 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6336904; Eh | |||
![]() | 2-Oct-2021 | /lin/ox2 s_lin_t_23_2_110-101 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6269497; Eh | |||
![]() | 2-Oct-2021 | /lin/ox2 d_lin_c_37_2_111-001 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6402105; Eh | |||
![]() | 2-Oct-2021 | /lin/ox2 d_lin_t_27_2_100-111 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6123202; Eh | |||
![]() | 2-Oct-2021 | /lin/ox2 s_lin_c_34_2_110-110 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6069012; Eh |
Results 61-70 of 830 (Search time: 0.001 seconds).
Discover
Subject
- 830 Optical properties
- 830 Virtual library
- 780 Melanine
- 50 Melanin
Program name
- 830 Gaussian
Method
- 830 RCAM-B3LYP
- 830 TD-FC