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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2023	Holo2transA_1	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.09808409407998; Eh
1-Feb-2023	Holo2transA_3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.08374631552; Eh
1-Feb-2023	Holo2transA_2	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.07012326656; Eh
1-Feb-2023	Holo2cis_EET_13	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3672964; Eh
1-Feb-2023	Holo2cis_EET_12	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3770609; Eh
1-Feb-2023	Holo2cis_EET_11	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.373075; Eh
1-Feb-2023	Holo2transA_EET_15	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3726048; Eh
1-Feb-2023	Holo2cis_0	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.22900550271999; Eh
1-Feb-2023	Holo2cis_1	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.21369690304; Eh
1-Feb-2023	Holo2transA_11	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.07164993535997; Eh

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