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Browsing by Author Merrill, Amy

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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)	-

Showing results 1 to 20 of 328 next >