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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-clcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-827.2246584; Eh
	9-Nov-2018	/water//water complexes aq-cnconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.3654241; Eh
	9-Nov-2018	/water//water complexes aq-cnrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1783.21871; Eh
	9-Nov-2018	/water//water complexes aq-ch3-pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-511.1178691; Eh
	9-Nov-2018	/water//water complexes aq-cnk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-121.2473166; Eh
	9-Nov-2018	/water//water complexes aq-cnircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-996.9961515; Eh
	9-Nov-2018	/water//water complexes aq-cnptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-711.8629881; Eh
	9-Nov-2018	/water//water complexes aq-cnauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-571.8411424; Eh
	9-Nov-2018	/vacuum/complexes imidazolrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1916.44412769; Eh
	9-Nov-2018	/water//water complexes aq-cnnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-373.8065477; Eh

Results 5101-5110 of 12842 (Search time: 0.005 seconds).