ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
8
9
10
11
12
13
14
...
28
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2023	PT11_low_37	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3376125; Eh
	20-Feb-2023	PT11_low_36	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3359296; Eh
	20-Feb-2023	PT11_low_31	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3323454; Eh
	20-Feb-2023	PT11_low_34	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3345455; Eh
	20-Feb-2023	PT11_low_35	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3319259; Eh
	20-Feb-2023	PT11_low_30	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3324927; Eh
	20-Feb-2023	PT11_high_12	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3062443; Eh
	20-Feb-2023	PT11_high_5	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3424235; Eh
	20-Feb-2023	PT11_high_7	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.3196582; Eh
	20-Feb-2023	PT11_high_13	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3459.2776731; Eh

Results 101-110 of 273 (Search time: 0.001 seconds).