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

Search

previous
1
...
2546
2547
2548
2549
2550
2551
2552
...
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 pf3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1259.72350369; Eh
	9-Nov-2018	/vacuum/complexes pf3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-953.679627817; Eh
	9-Nov-2018	/vacuum/complexes pf3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1274.92354328; Eh
	9-Nov-2018	/vacuum/complexes pf3mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1905.37703917; Eh
	9-Nov-2018	/vacuum/complexes pme3alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2084.39652215; Eh
	9-Nov-2018	/vacuum/complexes scnticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1930.19090542; Eh
	9-Nov-2018	/vacuum/complexes nh3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-675.314422058; Eh
	9-Nov-2018	/vacuum/complexes nh3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-273.006707464; Eh
	9-Nov-2018	/vacuum/complexes nh3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-548.193975968; Eh
	9-Nov-2018	/vacuum/complexes nh3mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-386.225413837; Eh

Results 25481-25490 of 103529 (Search time: 0.052 seconds).