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

Search

previous
1
...
502
503
504
505
506
507
508
...
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-ofecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1579.7437311; Eh
	9-Nov-2018	/water//water complexes aq-h2oniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-590.5271726; Eh
	9-Nov-2018	/vacuum/complexes nh2feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-633.328929140; Eh
	9-Nov-2018	/water//water complexes aq-h2pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-472.2828361; Eh
	9-Nov-2018	/noDisp/complexes sin-nchfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1598.224315; Eh
	9-Nov-2018	/noDisp/complexes sin-nchniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-607.5353651; Eh
	9-Nov-2018	/noDisp/complexes sin-iniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-525.6268156; Eh
	9-Nov-2018	/water//water complexes aq-h2otame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-292.9644241; Eh
	9-Nov-2018	/water//water complexes aq-h2omosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1340.9391494; Eh
	9-Nov-2018	/water//water complexes aq-h2wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-635.0901925; Eh

Results 5041-5050 of 12842 (Search time: 0.006 seconds).