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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-piridinaZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2596.8153716; Eh
	9-Nov-2018	/noDisp/complexes sin-sfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-975.4947071; Eh
	9-Nov-2018	/noDisp/complexes sin-heptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-621.5844185; Eh
	9-Nov-2018	/noDisp/complexes sin-scnznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-758.119023; Eh
	9-Nov-2018	/noDisp/complexes sin-heniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-516.9665879; Eh
	9-Nov-2018	/vacuum/complexes imidazolcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-592.811521976; Eh
	9-Nov-2018	/noDisp/complexes sin-hefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1046.9614897; Eh
	9-Nov-2018	/noDisp/complexes sin-hek	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-31.0581424; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-4aZ1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-241.61804289; eV
	9-Nov-2018	/noDisp/complexes sin-scnfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1068.4581287; Eh

Results 14361-14370 of 104583 (Search time: 0.01 seconds).