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_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_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_9	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.366755; Eh
1-Feb-2023	Holo2transB_EET_15	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3645093; 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

Results 31-40 of 834 (Search time: 0.001 seconds).