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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 piridinayh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-667.999481115; Eh
	9-Nov-2018	/vacuum/complexes ph3agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-716.216323568; Eh
	9-Nov-2018	/vacuum/complexes piridinaincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1170.47086649; Eh
	9-Nov-2018	/vacuum/complexes h2szncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2007.40495996; Eh
	9-Nov-2018	/vacuum/complexes h2sznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-682.441283931; Eh
	9-Nov-2018	/vacuum/complexes ohhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-252.376557661; Eh
	9-Nov-2018	/vacuum/complexes oincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-997.683594261; Eh
	9-Nov-2018	/vacuum/complexes saucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1914.68385673; Eh
	26-Aug-2024	geom3_w11_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-841.1653482; Eh
	9-Nov-2018	/vacuum/complexes piridinacrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-717.006822177; Eh

Results 22381-22390 of 103529 (Search time: 0.014 seconds).