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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 fenilclcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1004.06748281; Eh
	9-Nov-2018	/vacuum/complexes chch2conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-506.214905400; Eh
	9-Nov-2018	/vacuum/complexes chch2rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1768.25557794; Eh
	9-Nov-2018	/vacuum/complexes fenilclpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1506.09371145; Eh
	9-Nov-2018	/vacuum/complexes fenilclticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2130.39032126; Eh
	9-Nov-2018	/vacuum/complexes fenilclk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-719.542364105; Eh
	13-Apr-2023	/CO2-activation-5H2O PdMLPt(111)-(3x3)-near-K-OH-5H2O-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-332.17861890; eV
	26-Aug-2024	geom3_w11_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-840.808953087; Eh
	9-Nov-2018	/vacuum/complexes chch2cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-444.864004749; Eh
	9-Nov-2018	/vacuum/complexes fenilclfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1735.64725585; Eh

Results 23521-23530 of 104471 (Search time: 0.015 seconds).