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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-xenbnh24_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-296.3192615; Eh
	8-Nov-2018	/water/complexes aq-xerush4_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1705.722661; Eh
	28-Jan-2019	Red_I5	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1864.31632491; Eh
	19-Jun-2023	/HCOO-stabilization PdMLPt(111)-(3x3)-Clean-HCOO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-287.65763138; eV
	21-Jun-2023	Int1a_	Cataffo, Andrea	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1692.31039760; Eh
	8-Nov-2018	/water/complexes aq-xefecl3bai_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1520.2067579; Eh
	22-Jul-2018	/ExcitedState/6S_State 6S_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
	6-May-2019	CP-2Pd-i30	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1131.24670043; eV
	30-May-2023	int3d	Martí Zaragoza, Àlex	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	GENECP	-7549.58589841; Eh
	30-May-2023	int3a	Martí Zaragoza, Àlex	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	GENECP	-7549.60372305; Eh

Results 17181-17190 of 104512 (Search time: 0.011 seconds).