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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Sep-2023	Cplx2	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1127.4823263; Eh
	9-Nov-2018	/vacuum/complexes pme3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1365.04962586; Eh
	9-Nov-2018	/vacuum/complexes pme3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-827.684601535; Eh
	9-Nov-2018	/vacuum/complexes nhcconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-654.003767972; Eh
	9-Nov-2018	/vacuum/complexes pf3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1259.72350369; Eh
	9-Nov-2018	/vacuum/complexes pf3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-953.679627817; Eh
	9-Nov-2018	/vacuum/complexes pf3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1274.92354328; Eh
	9-Nov-2018	/vacuum/complexes pf3mosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1905.37703917; Eh
	9-Nov-2018	/vacuum/complexes pme3alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2084.39652215; Eh
	9-Nov-2018	/vacuum/complexes scnticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1930.19090542; Eh

Results 25411-25420 of 104445 (Search time: 0.016 seconds).