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

Search

previous
1
...
183
184
185
186
187
188
189
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Aug-2016	t2-3	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-3002.76590105; Eh
	31-Aug-2016	t20	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-2814.25361411; Eh
	31-Aug-2016	t3	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); SDD	-3002.78160778; Eh
	8-Nov-2018	/water/complexes aq-fenilomeZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2694.907881; Eh
	8-Nov-2018	/water/complexes aq-fenilomewco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-980.2363239; Eh
	8-Nov-2018	/water/complexes aq-fenilomeznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-613.2663212; Eh
	9-Nov-2018	/vacuum/complexes ofenomosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1494.43685980; Eh
	8-Nov-2018	/water/complexes aq-h2aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1517.566464; Eh
	8-Nov-2018	/water/complexes aq-fincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1022.2929817; Eh
	8-Nov-2018	/water/complexes aq-fhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-276.5198739; Eh

Results 1851-1860 of 12842 (Search time: 0.004 seconds).