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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 fenilclircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1595.36401653; Eh
	9-Nov-2018	/vacuum/complexes fenilcltame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-907.920083517; Eh
	9-Nov-2018	/vacuum/complexes fenilclrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2381.52189440; Eh
	9-Nov-2018	/vacuum/complexes chch2oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-394.039489838; Eh
	9-Nov-2018	/vacuum/complexes chch2fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1122.38309951; Eh
	9-Nov-2018	/vacuum/complexes cchpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-891.594757575; Eh
	9-Nov-2018	/vacuum/complexes cchznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-343.813486835; Eh
	6-Aug-2020	/freq/intermediates/Ag/F hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-104.06967521; eV
	13-Apr-2023	/CO2-activation-5H2O PdMLPt(111)-(3x3)-near-K-5H2O-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-337.88805102; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/NBO V_NBO	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1512.549643; Eh

Results 15541-15550 of 104515 (Search time: 0.011 seconds).