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

Search

previous
1
...
1079
1080
1081
1082
1083
1084
1085
...
10460
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-shauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-877.7938357; Eh
	8-Nov-2018	/water/complexes aq-sfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1903.3566532; Eh
	8-Nov-2018	/water/complexes aq-shalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2022.2532003; Eh
	8-Nov-2018	/water/complexes aq-shfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-976.2771588; Eh
	8-Nov-2018	/water/complexes aq-shcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-765.7921263; Eh
	8-Nov-2018	/water/complexes aq-shfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1443.2535638; Eh
	8-Nov-2018	/water/complexes aq-shconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-827.3239781; Eh
	8-Nov-2018	/water/complexes aq-shfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1903.8470639; Eh
	8-Nov-2018	/water/complexes aq-shcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-711.7126926; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-4070.5017316; Eh

Results 10811-10820 of 104592 (Search time: 0.011 seconds).