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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Feb-2021	clean_frq_nco	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-640.44554738; eV
	30-Sep-2021	/Water/TS_water ch3c6h5-nh2-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-327.576181073; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-cf3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-609.364991159; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-sch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-709.782657604; Eh
	27-Jul-2021	Nb7O22_0H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-10.27523790; Eh
	22-Feb-2021	clean_nch2oh	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-650.98155759; eV
	22-Feb-2021	clean_frq_nch2oh	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-650.98155148; eV
	22-Feb-2021	clean_nch1	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-636.61277849; eV
	22-Feb-2021	clean_frq_nch4	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-647.00774188; eV
	22-Feb-2021	clean_frq_nch1	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-636.61277379; eV

Results 57311-57320 of 104126 (Search time: 0.039 seconds).