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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-nh3fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1561.3749088; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1005.2421297; Eh
	9-Nov-2018	/noDisp/complexes sin-nchniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-607.5353651; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-570.6646746; Eh
	6-Aug-2020	/freq/interactions/Cu Cl_1	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-150.23359291; eV
	19-Mar-2026	/Nb Nb08O25-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-11.77938308; Eh
	23-Jul-2018	/Isobutene/Pt/111/1H C4H9T+H	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-350.43887624; eV
	23-Aug-2018	/slabs/segregation/ni5p4 layer8_Ni_19_P_195	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1283.68240700; eV
	23-Aug-2018	/ni4p3_ni5p4/methyl_but_ol 6	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-924.96713168; eV
	23-Aug-2018	/slabs/islanding/ni3p1 3_81_66	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.86434712; eV

Results 13941-13950 of 104583 (Search time: 0.01 seconds).