ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
241
242
243
244
245
246
247
...
250
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jan-2024	aimel_067260	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-385.9997726; Eh
	25-Jan-2024	aimel_067255	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-437.8969815; Eh
	25-Jan-2024	aimel_067252	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-402.0013243; Eh
	25-Jan-2024	aimel_067259	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-350.1036542; Eh
	25-Jan-2024	aimel_066154	Cortes Guzman, Fernando	Gaussian; 16; EM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-424.3595106; Eh
	25-Jan-2024	aimel_066149	Cortes Guzman, Fernando	Gaussian; 16; EM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-424.3679419; Eh
	25-Jan-2024	aimel_066158	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-424.3629431; Eh
	25-Jan-2024	aimel_066156	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-424.3713828; Eh
	25-Jan-2024	aimel_066157	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-404.4872613; Eh
	25-Jan-2024	aimel_066143	Cortes Guzman, Fernando	Gaussian; 16; EM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-388.4614779; Eh

Results 2431-2440 of 2492 (Search time: 0.003 seconds).