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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2023	Holo2cis_7	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.20250425344; Eh
1-Feb-2023	Holo2cis_6	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.21367682367998; Eh
1-Feb-2023	Holo2transB_4	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.97715091967999; Eh
1-Feb-2023	Holo2transB_5	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.98586998336; Eh
1-Feb-2023	Holo2transB_3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.997475216; Eh
1-Feb-2023	Holo2transB_6	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-169.97518250496; Eh
1-Feb-2023	Holo2cis_EET_1	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3748096; 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	Holo2transB_EET_3	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3797364; Eh

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