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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Int3 Int3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2868.96697119; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i1add-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.92514626; Eh
	4-Jan-2022	/CH2OH_rotation_isomers/opt Dprime_anti	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-3100.23440869; Eh
	24-Jul-2020	H2Mo2O7	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Int2_chelate Int2_chelate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2868.98335598; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan_l Scan_l	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2868.26952266; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan/Close Close	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G*	-2868.27353454; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan2/Tests 2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-31G*	-2868.26391284; Eh
	17-Oct-2016	/Dimer/Al_Cl_I/Insertion/Int2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2869.02077179; Eh
	17-Oct-2016	/Dimer/Al_Cl_Cl/Reactants/CAT CAT	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1179.50195175; Eh

Results 9261-9270 of 103542 (Search time: 0.009 seconds).