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	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	Holo2transB_EET_7	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3745768; Eh
1-Feb-2023	Holo2transB_EET_8	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3683557; Eh
1-Feb-2023	Holo2transB_EET_9	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3805364; Eh
1-Feb-2023	Holo2transB_EET_6	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3774641; Eh
1-Feb-2023	Holo2transB_EET_5	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3858887; Eh
1-Feb-2023	Holo2transA_EET_15	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3726048; Eh
1-Feb-2023	Holo2transA_EET_14	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3703176; Eh
1-Feb-2023	Holo1_8	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.13225788736; Eh
1-Feb-2023	Holo2cis_4	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-173.21518691903998; Eh

Results 31-40 of 99 (Search time: 0.001 seconds).