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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 h2conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-428.826046184; Eh
	9-Nov-2018	/vacuum/complexes fenilalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1855.01420922; Eh
	9-Nov-2018	/vacuum/complexes coticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1552.15355662; Eh
	9-Nov-2018	/vacuum/complexes foso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-415.842558715; Eh
	9-Nov-2018	/vacuum/complexes hk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-28.8760381473; Eh
	1-Sep-2023	TS12	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1127.4434353; Eh
	9-Nov-2018	/vacuum/complexes fenilcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-598.533197924; Eh
	9-Nov-2018	/vacuum/complexes cotame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-329.714396763; Eh
	9-Nov-2018	/vacuum/complexes cofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-690.658750255; Eh
	9-Nov-2018	/vacuum/complexes cocunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-479.814984378; Eh

Results 24821-24830 of 104445 (Search time: 0.016 seconds).