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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
1-Feb-2023	Holo2transB_1	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-170.01167992895998; Eh
1-Feb-2023	Holo2transB_3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.997475216; Eh
1-Feb-2023	Holo2transB_0	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.98382172927998; Eh
1-Feb-2023	Holo2transB_2	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.97626886208; Eh
1-Feb-2023	Holo2cis_EET_10	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3839741; 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_13	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3717401; Eh

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