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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 chch2nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-358.908217376; Eh
	9-Nov-2018	/vacuum/complexes cchconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-504.963859451; Eh
	9-Nov-2018	/vacuum/complexes cchtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-293.423199893; Eh
	9-Nov-2018	/vacuum/complexes chch2ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1517.12788399; Eh
	9-Nov-2018	/vacuum/complexes chch2auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-556.945521139; Eh
	9-Nov-2018	/vacuum/complexes cchmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1341.40611531; Eh
	26-Aug-2024	geom3_w11_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-840.808953087; Eh
	9-Nov-2018	/vacuum/complexes chch2ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-982.098966083; Eh
	9-Nov-2018	/vacuum/complexes cchircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-980.866595280; Eh
	9-Nov-2018	/vacuum/complexes cchptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-695.434738314; Eh

Results 15561-15570 of 104515 (Search time: 0.011 seconds).