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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 imidazolk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-254.418757328; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-590.5127421; Eh
	9-Nov-2018	/noDisp/complexes sin-hemno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-332.4243682; Eh
	9-Nov-2018	/water/metal_frag aq-PdHPH32b3lyp_new2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-814.7048827; Eh
	9-Nov-2018	/water//water complexes aq-bpinnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-534.9409579; Eh
	9-Nov-2018	/water//water complexes aq-bpinticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1693.1463745; Eh
	9-Nov-2018	/water/metal_frag aq-ptf5b3lypIV	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-618.7900863; Eh
	9-Nov-2018	/water//water complexes aq-brptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-632.4147753; Eh
	9-Nov-2018	/water//water complexes aq-brmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1278.1044479; Eh
	9-Nov-2018	/vacuum/complexes imidazolconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-654.020296032; Eh

Results 11461-11470 of 12354 (Search time: 0.009 seconds).