ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
3
4
5
6
7
8
9
...
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_064587	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-423.186625; Eh
	25-Jan-2024	aimel_064591	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-459.091193; Eh
	25-Jan-2024	aimel_064588	Cortes Guzman, Fernando	Gaussian; 16; EM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-423.1914725; Eh
	25-Jan-2024	aimel_064560	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-421.9338291; Eh
	25-Jan-2024	aimel_064527	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-402.0018005; Eh
	25-Jan-2024	aimel_064508	Cortes Guzman, Fernando	Gaussian; 16; EM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-423.1079507; Eh
	25-Jan-2024	aimel_064494	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-387.1903697; Eh
	25-Jan-2024	aimel_064473	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-424.4068856; Eh
	25-Jan-2024	aimel_064483	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-425.6293012; Eh
	25-Jan-2024	aimel_064470	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-388.5074326; Eh

Results 51-60 of 2491 (Search time: 0.001 seconds).