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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes xecunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-382.032383670; Eh
	9-Nov-2018	/vacuum/complexes smeznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-705.196965485; Eh
	9-Nov-2018	/vacuum/complexes brfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1518.19961997; Eh
	9-Nov-2018	/vacuum/complexes brcucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-303.768578687; Eh
	26-Aug-2024	geom137_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-840.7847716; Eh
	9-Nov-2018	/vacuum/complexes xetame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-231.920761206; Eh
	9-Nov-2018	/vacuum/complexes xepdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-830.168692263; Eh
	9-Nov-2018	/vacuum/complexes tiofenooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-868.565922009; Eh
	9-Nov-2018	/vacuum/complexes tiofenoznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-819.830020683; Eh
	9-Nov-2018	/vacuum/complexes sircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1302.37349371; Eh

Results 23941-23950 of 104471 (Search time: 0.016 seconds).