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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Apr-2019	MECP_c4-c5_Cl_T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2858.5982028; Eh
	9-Nov-2018	/vacuum/complexes nh2aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-284.688759966; Eh
	9-Nov-2018	/vacuum/complexes scnniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1005.23313799; Eh
	9-Nov-2018	/vacuum/complexes heznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-285.825547990; Eh
	4-Jan-2022	/C-C_bond_formation/opt/Single_Points D_anti_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3101.1566646; Eh
	9-Nov-2018	/vacuum/complexes nme3crh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-643.176679517; Eh
	9-Nov-2018	/vacuum/complexes nme3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-688.598516237; Eh
	9-Nov-2018	/vacuum/complexes nme3zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-566.971289117; Eh
	9-Nov-2018	/vacuum/complexes heyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-422.476162279; Eh
	9-Nov-2018	/vacuum/complexes imidazolcucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-516.488809909; Eh

Results 23061-23070 of 103529 (Search time: 0.015 seconds).