ioChem-BD Browse - Barcelona Supercomputing Center: Browsing Browse

Browsing by Subject Energy transfer

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:

Showing results 21 to 40 of 125 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2023	Holo2cis_EET_13	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3672964; Eh
1-Feb-2023	Holo2cis_EET_14	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3748773; Eh
1-Feb-2023	Holo2cis_EET_15	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3756647; Eh
1-Feb-2023	Holo2cis_EET_16	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.366007; Eh
1-Feb-2023	Holo2cis_EET_2	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3690927; Eh
1-Feb-2023	Holo2cis_EET_3	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3612715; Eh
1-Feb-2023	Holo2cis_EET_4	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.366611; Eh
1-Feb-2023	Holo2cis_EET_5	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3650892; 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	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_8	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3680259; 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	Holo2transA_0	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.09376288832; Eh
1-Feb-2023	Holo2transA_1	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.09808409407998; Eh
1-Feb-2023	Holo2transA_10	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.10935291776; Eh
1-Feb-2023	Holo2transA_11	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.07164993535997; Eh
1-Feb-2023	Holo2transA_2	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.07012326656; Eh
1-Feb-2023	Holo2transA_3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.08374631552; Eh
1-Feb-2023	Holo2transA_4	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.068693648; Eh
1-Feb-2023	Holo2transA_5	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-163.08673431552; Eh

Showing results 21 to 40 of 125 < previous next >