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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 tiofenofecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-2057.68692152; Eh
	9-Nov-2018	/vacuum/complexes tiofenoagnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-926.073264997; Eh
	9-Nov-2018	/vacuum/complexes ph3mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-672.802037881; Eh
	9-Nov-2018	/vacuum/complexes smegacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1821.07267756; Eh
	26-Aug-2024	geom7_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-458.5891162; Eh
	9-Nov-2018	/vacuum/complexes sime3yh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-829.359304138; Eh
	9-Nov-2018	/vacuum/complexes sime3cucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-699.584742628; Eh
	9-Nov-2018	/vacuum/complexes sime3gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1792.22362997; Eh
	9-Nov-2018	/vacuum/complexes otame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-292.032877257; Eh
	9-Nov-2018	/vacuum/complexes ph3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1157.80566011; Eh

Results 22241-22250 of 103529 (Search time: 0.014 seconds).