ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
2448
2449
2450
2451
2452
2453
2454
...
10448
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes chch2yh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-498.084730195; Eh
	9-Nov-2018	/vacuum/complexes fenilomezrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-738.838744880; Eh
	26-Aug-2024	geom7_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-3678.8075769; Eh
	9-Nov-2018	/vacuum/complexes fenilclnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2785.33376145; Eh
	9-Nov-2018	/vacuum/complexes chch2nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2172.06082722; Eh
	9-Nov-2018	/vacuum/complexes fenilno2snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-559.297932779; Eh
	9-Nov-2018	/vacuum/complexes fenilclfecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-2195.99609444; Eh
	9-Nov-2018	/vacuum/complexes fenilclzrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1083.90493107; Eh
	9-Nov-2018	/vacuum/complexes fenilno2aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-664.930262320; Eh
	9-Nov-2018	/vacuum/complexes h2sagnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-772.450051977; Eh

Results 24501-24510 of 104471 (Search time: 0.016 seconds).