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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Feb-2016	TS2a2-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1998.44418930; Eh
	2-Aug-2018	MDsnap_dimer1_680	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.99676949; eV
	30-Apr-2019	/U_Nb/isodesmic_pair/UO2 UO2	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
	4-Apr-2023	/CoFeIII LS_Co(III)-O	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.03177356; Eh
	8-May-2017	Pd-6-16	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-269.02921318; eV
	8-May-2017	Ru-3-40	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-349.38540741; eV
	8-May-2017	Cu-1212	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-150.45527072; eV
	23-Jul-2018	/trans2butene/Ni/100/8H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-300.57661606; eV
	23-Jul-2018	/trans2butene/Ni/111/1H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	DFT	-	-303.12277865; eV
	23-Jul-2018	/trans2butene/Ni/111/1H C4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-303.42430499; eV

Results 9801-9810 of 103542 (Search time: 0.007 seconds).