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

Search

previous
1
...
2208
2209
2210
2211
2212
2213
2214
...
10353
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 piridinafeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-825.630532640; Eh
	9-Nov-2018	/vacuum/complexes piridinamosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1512.74889739; Eh
	9-Nov-2018	/vacuum/complexes piridinafecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1292.47297125; Eh
	9-Nov-2018	/vacuum/complexes piridinaircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1152.22905058; Eh
	9-Nov-2018	/vacuum/complexes piridinacunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-614.873752859; Eh
	9-Nov-2018	/vacuum/complexes piridinawco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-882.237503330; Eh
	9-Nov-2018	/vacuum/complexes piridinacro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-561.037525768; Eh
	9-Nov-2018	/vacuum/complexes piridinamno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-577.992593158; Eh
	9-Nov-2018	/vacuum/complexes piridinak	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-276.482122929; Eh
	9-Nov-2018	/noDisp/complexes sin-nhctame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-442.6555982; Eh

Results 22101-22110 of 103529 (Search time: 0.013 seconds).