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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes ok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-103.465005591; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_s_translliufix	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.24276951; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-475.405537179; Eh
	9-Nov-2018	/noDisp/complexes sin-clcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-827.1055687; Eh
	9-Nov-2018	/noDisp/complexes sin-brpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-828.2805843; Eh
	9-Nov-2018	/noDisp/complexes sin-cnconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.0134392; Eh
	9-Nov-2018	/noDisp/complexes sin-clpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-931.4110557; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-511.0283683; Eh
	9-Nov-2018	/noDisp/complexes sin-cnmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-422.7640026; Eh
	9-Nov-2018	/noDisp/complexes sin-clticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1899.3877113; Eh

Results 11831-11840 of 12354 (Search time: 0.01 seconds).