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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	19-Mar-2026	/Nb Nb08O25-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-11.77938308; Eh
	9-Nov-2018	/water//water complexes aq-ftame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-316.6025218; Eh
	9-Nov-2018	/water//water complexes aq-frhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-592.2948916; Eh
	9-Nov-2018	/water//water complexes aq-fptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-718.8572443; Eh
	9-Nov-2018	/water//water complexes aq-fpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-914.7358628; Eh
	9-Nov-2018	/water//water complexes aq-frush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1790.2214982; Eh
	9-Nov-2018	/water//water complexes aq-fpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-571.1178198; Eh
	9-Nov-2018	/water//water complexes aq-fticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1539.0627999; Eh
	9-Nov-2018	/water//water complexes aq-fwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-733.9423861; Eh

Results 21811-21820 of 103542 (Search time: 0.012 seconds).