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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-cnrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1783.21871; Eh
	9-Nov-2018	/water//water complexes aq-ch3-pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-511.1178691; Eh
	9-Nov-2018	/water//water complexes aq-closo3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-776.3361555; Eh
	9-Nov-2018	/water//water complexes aq-cnk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-121.2473166; Eh
	23-Aug-2018	/ni3p2_ni2p/ts_c2h2 c2h4+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-674.10146982; eV
	23-Aug-2018	/ni3p2_ni2p/ts_c2h2 c2h3+h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-666.06009437; eV
	23-Aug-2018	/ni3p2_ni2p/c2h6 3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-673.81870343; eV
	9-Nov-2018	/water//water complexes aq-cnfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1137.2687875; Eh
	9-Nov-2018	/water//water complexes aq-cnrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-585.2880328; Eh
	9-Nov-2018	/water//water complexes aq-clznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-727.3447469; Eh

Results 14191-14200 of 104583 (Search time: 0.011 seconds).