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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom21_w11_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-841.1628778; Eh
	6-Aug-2020	/freq/intermediates/Ni/CH2Cl2 lesser	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-205.39828662; eV
	6-Aug-2020	/freq/intermediates/Ni/CH2Cl top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-203.06508099; eV
	6-Aug-2020	/freq/intermediates/Ni/CH2F top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-204.16105362; eV
	6-Aug-2020	/freq/intermediates/Ni/CF top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-195.90126485; eV
	6-Aug-2020	/freq/intermediates/Ni/CF hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-197.65658079; eV
	6-Aug-2020	/freq/intermediates/Ni/CF fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-197.68069627; eV
	19-Mar-2026	/AsMo As01Mo09O31-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.43026988; Eh
	6-Aug-2020	/freq/intermediates/Ni/CH2I2 lesser	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-204.61372163; eV
	6-Aug-2020	/freq/intermediates/Ir/CH2Cl2 lesser	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-303.86996500; eV

Results 20301-20310 of 103542 (Search time: 0.012 seconds).