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

Search

previous
1
...
735
736
737
738
739
740
741
...
1327
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 nchircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-997.334993183; Eh
	9-Nov-2018	/vacuum/complexes nchconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.159817368; Eh
	9-Nov-2018	/vacuum/complexes ifeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-588.870938381; Eh
	9-Nov-2018	/vacuum/complexes nchpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-908.087756267; Eh
	9-Nov-2018	/vacuum/complexes nchticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1532.30360088; Eh
	9-Nov-2018	/vacuum/complexes h2znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-267.939585366; Eh
	9-Nov-2018	/vacuum/complexes iwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-645.483688004; Eh
	9-Nov-2018	/vacuum/complexes hmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-330.536659515; Eh
	9-Nov-2018	/vacuum/complexes nchrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-585.049551593; Eh
	9-Nov-2018	/vacuum/complexes ifecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1055.86953432; Eh

Results 7371-7380 of 13266 (Search time: 0.007 seconds).