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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-AgNi-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-133.68249709; eV
	3-Oct-2019	water_sp2_ts_pdpf3_s_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3572.02205424; Eh
	9-Nov-2018	/vacuum/complexes sime3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-888.253499248; Eh
	9-Nov-2018	/vacuum/complexes pf3ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2989.51180981; Eh
	9-Nov-2018	/vacuum/complexes pme3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-932.249973882; Eh
	9-Nov-2018	/vacuum/complexes nhccro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-538.959826685; Eh
	9-Nov-2018	/vacuum/complexes sih3-alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1914.64487214; Eh
	9-Nov-2018	/vacuum/complexes sih3-oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-607.355942387; Eh
	9-Nov-2018	/vacuum/complexes shcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-711.627921496; Eh
	4-Jan-2022	CeHoHo	Garay Ruiz, Diego	ADF; 2019	Geometry optimization	BP86	TZP; DZP	-

Results 25451-25460 of 103529 (Search time: 0.016 seconds).