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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-PdCd-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-248.64605343; eV
	12-Feb-2019	sa-NiIr-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-265.07471572; eV
	12-Feb-2019	sa-OsCd-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-518.93769798; eV
	12-Feb-2019	sa-NiPd-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-261.85064194; eV
	12-Feb-2019	sa-NiOs-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-266.99356773; eV
	12-Feb-2019	sa-CdCu-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-49.38929805; eV
	19-May-2020	6MCC-Int1_(and_TBD-H(+))	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-1397.14615689; Eh
	23-Jul-2021	27sulfoneFL-OH	Espiñeira, Paula	ADF; 2016	Geometry optimization	PBE	TZ2P	-
	23-Jul-2021	27SFL-OH	Espiñeira, Paula	ADF; 2016	Geometry optimization	PBE	TZ2P	-
	23-Jul-2021	4C7SFL-OH	Espiñeira, Paula	ADF; 2016	Geometry optimization	PBE	TZ2P	-

Results 1811-1820 of 1824 (Search time: 0.002 seconds).