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

Search

previous
1
...
556
557
558
559
560
561
562
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-tiofenoincl2_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1475.1205281; Eh
	9-Nov-2018	/water/ligands aq-bpinb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-254.0552132; Eh
	9-Nov-2018	/vacuum/complexes hemno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-332.425995206; Eh
	9-Nov-2018	/water/ligands aq-cob3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-113.3160252; Eh
	9-Nov-2018	/water/ligands aq-heb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2.9070525; Eh
	9-Nov-2018	/noDisp/metal_frag sin-ticl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1438.7824376; Eh
	9-Nov-2018	/noDisp/metal_frag sin-conh35bb3lyp_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-427.6000762; Eh
	9-Nov-2018	/noDisp/metal_frag sin-snme3b3lyp_noNe	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-122.855759; Eh
	9-Nov-2018	/noDisp/complexes sin-xek_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-43.682927; Eh
	9-Nov-2018	/water/ligands aq-cnb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-92.9675474; Eh

Results 5581-5590 of 12842 (Search time: 0.005 seconds).