Browsing by Author Merrill, Amy
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
25-Aug-2021 | 1_conf_1 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1_conf_12 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1_conf_2 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1_conf_3 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1_conf_4 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1_conf_5 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1_opt_no_conf_search | Merrill, Amy | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1f_conf_1 | Merrill, Amy | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1f_conf_11 | Merrill, Amy | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1f_conf_2 | Merrill, Amy | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1f_conf_22 | Merrill, Amy | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1f_conf_3 | Merrill, Amy | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1f_conf_4 | Merrill, Amy | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1f_conf_5 | Merrill, Amy | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1f_conf_7 | Merrill, Amy | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1g_conf_1 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1g_conf_11 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1g_conf_12 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1g_conf_2 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - | ||||
25-Aug-2021 | 1g_conf_3 | Merrill, Amy | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G(D,P) | - |