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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-shgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-574.9949465; Eh
	4-Apr-2023	/CoFeIII LS_Co(II)-vac	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3576.96975056; Eh
	8-May-2017	Ru-5-25	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-355.25269588; eV
	8-May-2017	Pt-3-51	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-322.08601339; eV
	29-Feb-2016	Int3a-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.37871613; Eh
	2-Aug-2018	MDsnap_trimer2_3840	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.54605057; eV
	1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/No_CO2/FC_Alter FC_Alter	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.92621103; Eh
	1-Dec-2017	/Racemization/BnNH3 BnNH3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-327.364025657; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631d TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D)	-849.697623839; Eh
	2-Aug-2018	MDsnap_trimer2_3860	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.84748591; eV

Results 21291-21300 of 104508 (Search time: 0.012 seconds).