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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-xecrh2o5trip_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-484.4406056; Eh
	8-Nov-2018	/water/complexes aq-xealcl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1638.7770443; Eh
	19-Jun-2023	/HCOO-stabilization PdMLPt(111)-(3x3)-near-K-5H2O-H-CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-359.74535521; eV
	30-May-2023	TSint3a-4a	Martí Zaragoza, Àlex	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-7549.59405082; Eh
	8-Nov-2018	/water/complexes aq-xefecl3-bai_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1520.4180787; Eh
	22-Jul-2018	/ExcitedState/2S_State 2S_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
	22-Jul-2018	/ExcitedState/10S_State 10S_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
	11-Apr-2021	/N_sulfonylguanidine n1-i1add-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1405.19630715; Eh
	21-Jun-2023	Int1b_	Cataffo, Andrea	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1692.30508810; Eh
	28-Jan-2019	Red_I6	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1939.61833672; Eh

Results 17201-17210 of 104512 (Search time: 0.011 seconds).