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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes fenilno2ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1054.91096817; Eh
	9-Nov-2018	/noDisp/complexes sin-ohircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-979.9283406; Eh
	9-Nov-2018	/noDisp/complexes sin-ohtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-292.5321921; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-506.9518622; Eh
	9-Nov-2018	/noDisp/complexes sin-ocunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-442.227527; Eh
	9-Nov-2018	/noDisp/complexes sin-ohauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-554.7732243; Eh
	9-Nov-2018	/noDisp/complexes sin-ohoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-391.8396698; Eh
	9-Nov-2018	/noDisp/complexes sin-ok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-103.4647124; Eh
	27-Jun-2023	SP_tsZ-H2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1179.4073947; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III/NBO TS_NO2_Cpstar_II_III_NBO	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1408.169919; Eh

Results 22111-22120 of 103529 (Search time: 0.015 seconds).