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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2023	Holo2transB_6	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.97518250496; Eh
1-Feb-2023	Holo2transB_3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.997475216; Eh
1-Feb-2023	Holo2cis_EET_5	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3650892; Eh
1-Feb-2023	Holo2cis_EET_7	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3771187; Eh
1-Feb-2023	Holo2cis_EET_6	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3744415; Eh
1-Feb-2023	Holo2transA_EET_16	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3730564; Eh
1-Feb-2023	Holo2transA_5	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.08673431552; Eh
1-Feb-2023	Holo2transA_6	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.12994637312; Eh
1-Feb-2023	Holo2transA_4	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.068693648; Eh
1-Feb-2023	Holo2transB_11	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-170.00058815423998; Eh

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