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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Feb-2020	CHOH_on_Pb_of_PbOdAu3p_111	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-160.05733459; eV
	10-Feb-2020	COOH_on_O_of_PbOdAu3p_111	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-164.17929363; eV
	10-Feb-2020	CHO_on_Pb_of_PbOdAu3p_111	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-156.42993725; eV
	10-Feb-2020	CH_on_Pb_of_PbOdAu3p_111	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-148.82942223; eV
	30-Jun-2020	i202201	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-156.26958574; eV
	30-Jun-2020	i131101	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-152.92910124; eV
	30-Jun-2020	i210101	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-146.42617528; eV
	24-Jul-2020	Mo6O20_2H_B3LYP	Petrus, Enric	ADF; 2019	Frequencies	B3LYP	TZP	-
	24-Jul-2020	Mo6O20_1H_B3LYP	Petrus, Enric	ADF; 2019	Frequencies	B3LYP	TZP	-
	24-Jul-2020	Mo6O20_0H_B3LYP	Petrus, Enric	ADF; 2019	Frequencies	B3LYP	TZP	-

Results 421-430 of 98563 (Search time: 0.004 seconds).