Browsing by Subject Protein design
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
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14-Feb-2023 | alpha2_parallel-antiparallel_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.46469365247998; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.50754220992; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47093913024; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.5013260544; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.51866872512; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.4686213984; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47955174144; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.4498989888; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47448441216; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET1 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3686306; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET2 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3706521; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET3 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3649769; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET4 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3849725; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET5 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.365953; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET6 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3640152; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET7 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3611618; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET8 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3651286; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md0 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.3931325664; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md1 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40164494016; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md10 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.41655322751998; Eh |