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

Search

previous
1
...
2281
2282
2283
2284
2285
2286
2287
...
10353
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-nhcfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1270.3838274; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-633.8790617; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-675.3067765; Eh
	9-Nov-2018	/vacuum/complexes fenilno2conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-864.379466262; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-653.9576622; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-555.9192326; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-541.8451187; Eh
	9-Nov-2018	/vacuum/complexes fenilno2auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-915.128528496; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-690.4790275; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1100.7050635; Eh

Results 22831-22840 of 103529 (Search time: 0.015 seconds).