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

Search

previous
1
...
543
544
545
546
547
548
549
...
1285
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 tiofenozncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2161.02219881; Eh
	9-Nov-2018	/vacuum/complexes ofenoznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-513.082288312; Eh
	9-Nov-2018	/vacuum/complexes ofenozncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1838.04678960; Eh
	9-Nov-2018	/vacuum/complexes h2k_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-29.3280635673; Eh
	9-Nov-2018	/vacuum/complexes snipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2492.21113917; Eh
	9-Nov-2018	/noDisp/ligands sin-nh3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-56.5559454; Eh
	9-Nov-2018	/noDisp/ligands sin-fb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-99.8588397; Eh
	9-Nov-2018	/vacuum/complexes h2sZrCl5_new	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2747.91336100; Eh
	9-Nov-2018	/vacuum/complexes pf3zncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2249.00332747; Eh
	9-Nov-2018	/vacuum/complexes ofenoniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-744.117703367; Eh

Results 5451-5460 of 12842 (Search time: 0.005 seconds).