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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-sime3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-888.2405183; Eh
	9-Nov-2018	/noDisp/complexes sin-scnhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-667.6257913; Eh
	5-Nov-2018	c00008	Chuong Nguyën, Huu	QuantumEspresso; 6.1	Geometry optimization	pbe	Ultrasoft	-208218.005455; eV
	5-Nov-2018	c00009	Chuong Nguyën, Huu	QuantumEspresso; 6.1	Geometry optimization	pbe	Ultrasoft	-208217.998622; eV
	5-Nov-2018	c00006	Chuong Nguyën, Huu	QuantumEspresso; 6.1	Geometry optimization	pbe	Ultrasoft	-208217.682138; eV
	5-Nov-2018	c00007	Chuong Nguyën, Huu	QuantumEspresso; 6.1	Geometry optimization	pbe	Ultrasoft	-208217.717506; eV
	3-Oct-2019	ircfor_water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall6	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.32304909; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinaincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1170.4595966; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-739.2609212; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-880.4148679; Eh

Results 23321-23330 of 103529 (Search time: 0.02 seconds).