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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2021	/Ta K-Cs	Bo, Carles	ADF; 2019	Geometry optimization	BP86	TZP	-
	8-Nov-2018	/water/complexes aq-hnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-281.52062; Eh
	8-Nov-2018	/water/complexes aq-hmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1265.2485513; Eh
	8-Nov-2018	/water/complexes aq-hniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-514.7830627; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-38Za-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-224.32491108; eV
	8-Nov-2018	/water/complexes aq-hpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-471.809511; Eh
	8-Nov-2018	/water/complexes aq-hircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-904.7093945; Eh
	8-Nov-2018	/water/complexes aq-hfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1044.9997484; Eh
	8-Nov-2018	/water/complexes aq-hmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-330.5425483; Eh
	8-Nov-2018	/water/complexes aq-hfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1505.5866356; Eh

Results 27281-27290 of 104508 (Search time: 0.015 seconds).