ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
4
5
6
7
8
9
10
...
61
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_10	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-2692.7732059; Eh
	20-Feb-2023	PT13_low_37	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6471094; Eh
	20-Feb-2023	PT13_low_36	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6506075; Eh
	20-Feb-2023	PT13_low_35	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6515578; Eh
	20-Feb-2023	PT13_low_38	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6490768; Eh
	20-Feb-2023	PT13_low_39	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6423549; Eh
	20-Feb-2023	PT13_low_40	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6462508; Eh
	20-Feb-2023	PT13_high_1	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6124498; Eh
	20-Feb-2023	PT13_low_34	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6443197; Eh
	20-Feb-2023	PT13_high_21	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6444177; Eh

Results 61-70 of 607 (Search time: 0.001 seconds).