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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	9-Nov-2018	/noDisp/complexes sin-scntame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-707.7095624; Eh
	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-scnpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1305.9115907; 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	/noDisp/complexes sin-sconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-826.710522; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ofecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1581.237402; Eh
	9-Nov-2018	/noDisp/complexes sin-heauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-481.581129; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinaptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-867.037376; Eh

Results 21921-21930 of 103529 (Search time: 0.014 seconds).