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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2020	/freq/intermediates/Ag/Cl fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.41016128; eV
	9-Nov-2018	/vacuum/complexes sih3-crh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-760.257717780; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1084.29804; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-658.5896273; Eh
	9-Nov-2018	/noDisp/complexes sin-brircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-917.5347483; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1479.0427432; Eh
	9-Nov-2018	/noDisp/complexes sin-brZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2361.9124407; Eh
	9-Nov-2018	/noDisp/complexes sin-clalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2083.6129326; Eh
	9-Nov-2018	/vacuum/complexes sih3-cuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-528.623210434; Eh
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_subsurface cl-o-mgo	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-374.35621227; eV

Results 22271-22280 of 103529 (Search time: 0.013 seconds).