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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	/noDisp/complexes sin-fenilrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-723.8120164; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1496.2991218; Eh
	9-Nov-2018	/noDisp/complexes sin-fconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-528.059256; Eh
	9-Nov-2018	/noDisp/complexes sin-fircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1003.9725332; Eh
	9-Nov-2018	/noDisp/complexes sin-feniloso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-547.7116152; Eh
	9-Nov-2018	/vacuum/complexes tiofenoyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-972.676875206; Eh
	9-Nov-2018	/vacuum/complexes tiofenozncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2161.02578815; Eh
	9-Nov-2018	/noDisp/complexes sin-cowco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-747.2536458; Eh
	9-Nov-2018	/vacuum/complexes tiofenosnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-675.908640481; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_s_translliulliu	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3853.28393345; Eh

Results 22921-22930 of 103529 (Search time: 0.014 seconds).