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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-nchrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-585.0331077; Eh
	9-Nov-2018	/noDisp/complexes sin-nchauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-572.1657647; Eh
	9-Nov-2018	/noDisp/complexes sin-nchnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-374.1580919; Eh
	9-Nov-2018	/noDisp/complexes sin-iptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-630.1480447; Eh
	9-Nov-2018	/vacuum/complexes bpinmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1518.66415837; Eh
	9-Nov-2018	/vacuum/complexes bpinircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1158.13150868; Eh
	9-Nov-2018	/vacuum/complexes bpink	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-282.294881895; Eh
	9-Nov-2018	/noDisp/complexes sin-ik	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-39.8229693; Eh
	13-Apr-2021	2O-doped-Ni(100)-3x3-CH2CH(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-451.30958165; eV
	9-Nov-2018	/noDisp/complexes sin-nchfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1137.5550623; Eh

Results 15631-15640 of 104515 (Search time: 0.012 seconds).