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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 cchaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1593.27911069; Eh
	9-Nov-2018	/vacuum/complexes hfecl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1505.34940826; Eh
	9-Nov-2018	/vacuum/complexes hptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-463.194847676; Eh
	6-Aug-2020	/freq/intermediates/Ag/CHCl fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-113.55023432; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS17_S18 TSS17-S18_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1301.4129495; Eh
	9-Nov-2018	/vacuum/complexes bpinsnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-377.141950425; Eh
	9-Nov-2018	/vacuum/complexes h2oaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-305.072632687; Eh
	9-Nov-2018	/vacuum/complexes h2snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-124.037823782; Eh
	9-Nov-2018	/vacuum/complexes h2gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1383.98702657; Eh
	9-Nov-2018	/vacuum/complexes h2ofecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1581.24457480; Eh

Results 24571-24580 of 104471 (Search time: 0.015 seconds).