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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo07W02O34-3H-iso-92461	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.25827244; Eh
	26-Aug-2024	nox_w_HLT_B3LYP_6311Gdp	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-400.0260826; Eh
	30-Aug-2024	/sac-phos/rol2din2 tbubp	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-913.39073336; eV
	30-Aug-2024	/sac-phos/rol2din2 ph	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-849.74791576; eV
	30-Aug-2024	/sac-phos/rol2din2 tbu	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-841.42074711; eV
	30-Aug-2024	/sac-phos/rol3 cybp	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-972.46797672; eV
	30-Aug-2024	/sac-phos/rol3 cy	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-926.87615359; eV
	30-Aug-2024	/sac-phos/rol3 ph	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.45577783; eV
	30-Aug-2024	/sac-phos/supp tbubp	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-953.55078232; eV
	30-Aug-2024	/sac-phos/supp tbu	Loveday, Oliver	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-881.59793032; eV

Results 79611-79620 of 104126 (Search time: 0.047 seconds).