ioChem-BD Browse - Barcelona Supercomputing Center: Search

Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2023	Holo2transA_7	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.11057998976; 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	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	Holo2transB_EET_13	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3747149; Eh
1-Feb-2023	Holo2transB_EET_11	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3774588; Eh
1-Feb-2023	Holo2transB_EET_12	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.373996; Eh
1-Feb-2023	Holo2transB_EET_14	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3625913; Eh
1-Feb-2023	Holo2cis_9	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.22880534656; Eh

Results 31-40 of 401 (Search time: 0.002 seconds).