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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes heaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1519.27433886; Eh
	9-Nov-2018	/vacuum/complexes h2syh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-819.013747627; Eh
	9-Nov-2018	/vacuum/complexes scncuch3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-728.425645723; Eh
	9-Nov-2018	/vacuum/complexes piridinaagnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-621.385343591; Eh
	9-Nov-2018	/vacuum/complexes ph3yh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-762.776236766; Eh
	9-Nov-2018	/vacuum/complexes h2ssnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-522.280747583; Eh
	9-Nov-2018	/vacuum/complexes ph3fecl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1847.82481559; Eh
	9-Nov-2018	/vacuum/complexes sagnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-771.472939265; Eh
	9-Nov-2018	/vacuum/complexes scncucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-781.404158933; Eh
	6-Aug-2020	/freq/intermediates/Ag/CHF hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-115.00019500; eV

Results 23751-23760 of 104471 (Search time: 0.016 seconds).