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

Search

previous
1
...
1192
1193
1194
1195
1196
1197
1198
...
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 imidazolznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-509.366421334; Eh
	9-Nov-2018	/vacuum/complexes nme3cuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-411.784652963; Eh
	9-Nov-2018	/vacuum/complexes nh2ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-518.563048990; Eh
	9-Nov-2018	/vacuum/complexes nme3nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2268.51409828; Eh
	9-Nov-2018	/vacuum/complexes imidazolincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1148.41062687; Eh
	9-Nov-2018	/vacuum/complexes nme3aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-403.166464061; Eh
	9-Nov-2018	/vacuum/complexes nh2cuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-293.271062691; Eh
	9-Nov-2018	/vacuum/complexes nh2zncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1663.88750267; Eh
	9-Nov-2018	/vacuum/complexes imidazolfecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1731.04819523; Eh
	9-Nov-2018	/vacuum/complexes imidazolyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-645.941733789; Eh

Results 11941-11950 of 12354 (Search time: 0.01 seconds).