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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_W_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-498.444278825; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts Int_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-635.802562118; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts Int_W_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-712.251584165; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts Int_N_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-773.143736297; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts A_N_N_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-849.580826066; Eh
	29-Feb-2016	TS3a-cis-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.38513879; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts Int_N_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-849.587871572; Eh
	24-Feb-2020	/SupportingStructures/Profiles/M062X/Adducts I_W_M062X	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	CC-PVTZ	-559.355714112; Eh
	2-Aug-2018	MDsnap_trimer2_2100	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.64888722; eV
	17-Oct-2017	/Adsorption/niru/7x4 G4_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-588.20060257; eV

Results 18451-18460 of 104512 (Search time: 0.011 seconds).