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Showing results 1 to 20 of 110 next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2023	Holo1_10	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.12301676032; Eh
1-Feb-2023	Holo1_11	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.10073217664; Eh
1-Feb-2023	Holo1_8	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.13225788736; Eh
1-Feb-2023	Holo1_9	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.12267445504; Eh
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	Holo2cis_10	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.25391745472; Eh
1-Feb-2023	Holo2cis_11	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.2434121248; Eh
1-Feb-2023	Holo2cis_2	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.20290902784; Eh
1-Feb-2023	Holo2cis_3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.23300719168; Eh
1-Feb-2023	Holo2cis_4	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.21518691903998; Eh
1-Feb-2023	Holo2cis_5	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.20953218879998; Eh
1-Feb-2023	Holo2cis_6	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.21367682367998; Eh
1-Feb-2023	Holo2cis_7	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.20250425344; Eh
1-Feb-2023	Holo2cis_8	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.21051368704; Eh
1-Feb-2023	Holo2cis_9	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.22880534656; 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_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	Holo2cis_EET_12	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3770609; Eh

Showing results 1 to 20 of 110 next >