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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 ph3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-609.964990032; Eh
	9-Nov-2018	/vacuum/complexes cchauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-555.707463954; Eh
	9-Nov-2018	/vacuum/complexes cchk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-105.058620726; Eh
	3-Oct-2019	water_sp2_ts_pdpme3_c_trans2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3392.15759027; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1395.1747479; Eh
	9-Nov-2018	/noDisp/complexes sin-nchconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.1239819; Eh
	9-Nov-2018	/noDisp/complexes sin-nchrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1783.6157697; Eh
	9-Nov-2018	/noDisp/complexes sin-nchoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-408.9103229; Eh
	9-Nov-2018	/noDisp/complexes sin-hmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1265.2249183; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2114.4541933; Eh

Results 11171-11180 of 12354 (Search time: 0.008 seconds).