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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Apr-2021	/Diels_Alder add-dma9-ma-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-997.756855744; Eh
	30-Sep-2021	/Water/TS_water ch3i-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-511.703765086; Eh
	8-Nov-2018	/water/complexes aq-pcl3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2536.7280284; Eh
	8-Nov-2018	/water/complexes aq-pcl3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2193.1384284; Eh
	9-Nov-2018	/vacuum/complexes nme3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-541.052623948; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2355.9082076; Eh
	9-Nov-2018	/noDisp/complexes sin-pcl3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1988.7852126; Eh
	9-Nov-2018	/vacuum/complexes nme3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-602.242222373; Eh
	9-Nov-2018	/vacuum/complexes nme3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-487.235690877; Eh
	11-Apr-2021	/Diels_Alder add-dma9-bq-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-999.920409470; Eh

Results 2371-2380 of 12842 (Search time: 0.004 seconds).