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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-h2oircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-980.4018156; Eh
	9-Nov-2018	/water//water complexes aq-h2ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-905.1255166; Eh
	23-Aug-2018	/slabs/segregation/ni3p1 layer3_Ni_18_P_77	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-635.31575474; eV
	23-Aug-2018	/gas hcch	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-22.95150791; eV
	9-Nov-2018	/water//water complexes aq-h2oauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-555.2436268; Eh
	25-Jun-2024	/Intermediates/Ir/100 C2H6N2_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-453.90079732; eV
	9-Nov-2018	/water//water complexes aq-h2opdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-547.5415926; Eh
	9-Nov-2018	/water//water complexes aq-h2omno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-406.1532462; Eh
	23-Aug-2018	/gas h2o	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-14.22303344; eV
	23-Aug-2018	/slabs/segregation/ni3p1 layer4_Ni_18_P_98	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.90955710; eV

Results 27621-27630 of 104510 (Search time: 0.018 seconds).