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

Search

previous
1
...
673
674
675
676
677
678
679
...
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 smewco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1072.12773813; Eh
	9-Nov-2018	/vacuum/complexes xefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1059.62485221; Eh
	9-Nov-2018	/vacuum/complexes xeznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-282.319763679; Eh
	9-Nov-2018	/vacuum/complexes tiofenofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1130.32186194; Eh
	9-Nov-2018	/vacuum/complexes smefeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1015.52035147; Eh
	9-Nov-2018	/vacuum/complexes shnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-679.748382610; Eh
	9-Nov-2018	/vacuum/complexes smeauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-917.087551124; Eh
	9-Nov-2018	/vacuum/complexes smeZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2786.61168893; Eh
	9-Nov-2018	/vacuum/complexes smeticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1877.28009109; Eh
	9-Nov-2018	/vacuum/complexes smepdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-909.284629484; Eh

Results 6751-6760 of 12842 (Search time: 0.006 seconds).