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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2021	/UO2(O2)3 K-Cs	Bo, Carles	ADF; 2010; 01	Geometry optimization	BP86	TZP; DZP	-1484.12878334; eV
	9-Nov-2018	/water//water complexes aq-ch3-feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-617.3596501; Eh
	9-Nov-2018	/water//water complexes aq-ch3-ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-944.0219697; Eh
	9-Nov-2018	/water//water complexes aq-ch3-fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1084.3338208; Eh
	9-Nov-2018	/water//water complexes aq-ch3-rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-532.3624775; Eh
	9-Nov-2018	/water//water complexes aq-ch3-tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-256.586237; Eh
	9-Nov-2018	/water//water complexes aq-ch3-cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-406.8700685; Eh
	9-Nov-2018	/water//water complexes aq-ch3-mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1304.5824965; Eh
	9-Nov-2018	/water//water complexes aq-ch3-fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1544.9062935; Eh
	9-Nov-2018	/water//water complexes aq-ch3-k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-68.231539; Eh

Results 21181-21190 of 103542 (Search time: 0.013 seconds).