ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
10
11
12
13
14
15
16
...
28
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2023	PT13_low_11	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6387707; Eh
	20-Feb-2023	PT13_low_14	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6273681; Eh
	20-Feb-2023	PT13_low_13	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6500197; Eh
	20-Feb-2023	PT13_low_9	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3316.6500077; Eh
	20-Feb-2023	PT2_low_2	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3917.2379934; Eh
	20-Feb-2023	PT2_low_1	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3917.2423808; Eh
	20-Feb-2023	PT2_low_7	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3917.2451386; Eh
	20-Feb-2023	PT2_low_6	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3917.2506363; Eh
	20-Feb-2023	PT2_low_9	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-3917.2427611; Eh
	20-Feb-2023	PT5_high_6	Curti, Mariano	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RCAM-B3LYP; TD-FC	6-31G(D)	-2692.7863101; Eh

Results 121-130 of 273 (Search time: 0.001 seconds).