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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Catalytic_cycle_1 I3_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.65646272; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Syn_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.23501686; Eh
	2-May-2019	INT11_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	-	-3176.7679475; Eh
	2-Aug-2018	MDsnap_trimer3_780	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.30911137; eV
	9-Nov-2018	/vacuum/complexes ocrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-544.379153333; Eh
	9-Nov-2018	/vacuum/complexes fenilno2zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-828.823038293; Eh
	9-Nov-2018	/vacuum/complexes ohcrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-544.828276217; Eh
	9-Nov-2018	/vacuum/complexes fenilomeyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-766.291457210; Eh
	9-Nov-2018	/vacuum/complexes nhcyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-645.910100875; Eh
	9-Nov-2018	/vacuum/complexes fenilclptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1153.88053427; Eh

Results 24471-24480 of 104471 (Search time: 0.015 seconds).