ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
7
8
9
10
11
12
13
...
28
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2023	PT5_high_11	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-2692.7875848; Eh
	20-Feb-2023	PT5_high_12	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-2692.7601223; Eh
	20-Feb-2023	PT13_low_33	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6552386; Eh
	20-Feb-2023	PT13_low_29	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6445986; Eh
	20-Feb-2023	PT13_low_31	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.643057; Eh
	20-Feb-2023	PT13_low_25	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6498583; Eh
	20-Feb-2023	PT13_low_32	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6338689; Eh
	20-Feb-2023	PT13_low_27	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6497271; Eh
	20-Feb-2023	PT13_low_26	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.647989; Eh
	20-Feb-2023	PT13_low_30	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6527268; Eh

Results 91-100 of 273 (Search time: 0.001 seconds).