ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
4
5
6
7
8
9
10
...
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_116020	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-403.3477457; Eh
	25-Jan-2024	aimel_116124	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-456.5318629; Eh
	25-Jan-2024	aimel_069043	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-454.0261804; Eh
	25-Jan-2024	aimel_069038	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-437.9947416; Eh
	25-Jan-2024	aimel_069039	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-457.8851307; Eh
	25-Jan-2024	aimel_116130	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-476.3792151; Eh
	25-Jan-2024	aimel_116131	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-496.2664801; Eh
	25-Jan-2024	aimel_068926	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-424.4005278; Eh
	25-Jan-2024	aimel_116239	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-367.4513721; Eh
	25-Jan-2024	aimel_068728	Cortes Guzman, Fernando	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(2DF,P)	-416.8554102; Eh

Results 61-70 of 2492 (Search time: 0.004 seconds).