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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2023	Holo2cis_11	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.2434121248; Eh
1-Feb-2023	Holo2transB_7	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.96982800895998; Eh
1-Feb-2023	Holo2transB_9	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-170.01667140288; Eh
1-Feb-2023	Holo2transB_8	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-170.0020743456; Eh
1-Feb-2023	Holo2cis_EET_8	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3680259; Eh
1-Feb-2023	Holo2transA_EET_13	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3717401; Eh
1-Feb-2023	Holo2transA_EET_9	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3720395; Eh
1-Feb-2023	Holo2transA_EET_12	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3607072; Eh
1-Feb-2023	Holo2transA_EET_10	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3736807; Eh
1-Feb-2023	Holo2transA_EET_8	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3654766; Eh

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