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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2023	Holo2cis_3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.23300719168; Eh
1-Feb-2023	Holo2transA_1	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.09808409407998; Eh
1-Feb-2023	Holo2transA_2	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.07012326656; Eh
1-Feb-2023	Holo2transB_9	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-170.01667140288; Eh
1-Feb-2023	Holo2transB_7	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.96982800895998; Eh
1-Feb-2023	Holo2transB_8	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-170.0020743456; Eh
1-Feb-2023	Holo2cis_EET_4	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.366611; Eh
1-Feb-2023	Holo2cis_EET_2	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3690927; Eh
1-Feb-2023	Holo2cis_EET_3	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3612715; Eh
1-Feb-2023	Holo2cis_EET_15	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3756647; Eh

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