Browsing by Subject Excitonic interactions
Showing results 21 to 40 of 153
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | alpha4_antiparallel_1chrom_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.81436417023997; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_1chrom_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.78816984832; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_1chrom_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.81572797311998; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_1chrom_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.80761814272; 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 | alpha4_antiparallel_2chroms_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.86742703232; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.89564283584; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.8764106336; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.85087032512; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.88305483008; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.90504826304; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.92051797567999; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.90233595584; Eh |