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

Search

previous
1
...
1114
1115
1116
1117
1118
1119
1120
...
1236
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 cchconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-504.963859451; Eh
	9-Nov-2018	/vacuum/complexes cchptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-695.434738314; Eh
	9-Nov-2018	/vacuum/complexes chch2ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1517.12788399; Eh
	9-Nov-2018	/vacuum/complexes cchmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1341.40611531; Eh
	9-Nov-2018	/vacuum/complexes bpinZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2602.45237504; Eh
	9-Nov-2018	/vacuum/complexes bpinptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-872.709188801; Eh
	9-Nov-2018	/vacuum/complexes bpinpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1068.86312918; Eh
	9-Nov-2018	/vacuum/complexes bpinrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1944.28621796; Eh
	9-Nov-2018	/vacuum/complexes bpinticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1693.13153668; Eh
	9-Nov-2018	/vacuum/complexes cchnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-357.673599540; Eh

Results 11161-11170 of 12354 (Search time: 0.008 seconds).