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8 results found

no	title	author	magazine	year	volume	issue	page(s)	type
1	Aggregation or dispersion of Si atoms in Al–Si alloys? from the view point of energetics	Zhang, Lin			141	3		article
2	Analyzing cases of significant nondynamic correlation with DFT using the atomic populations of effectively localized electrons	Lewis, Conrad			141	3		article
3	Coupling density functional based tight binding with class 1 force fields in a hybrid QM/MM scheme	Yusef Buey, Maysa			141	3		article
4	Dihydrogen attachment and dissociation reactions in Fe(H)2(H2)(PEtPh2)3: a DFT potential-energy scan	Gomzi, Vjeran			141	3		article
5	First-principles DFT insights into the mechanisms of CO2 reduction to CO on Fe (100)-Ni bimetals	Kwawu, Caroline R.			141	3		article
6	The ethanol–metal interaction in bimetallic clusters of Pt and Rh	Radael, Graziela N.			141	3		article
7	Theoretical study of the substituent effect on the O–H insertion reaction of copper carbenoids	Durán, Rocío			141	3		article
8	The reliability of the small-core lanthanide effective core potentials	Bauschlicher, Charles W.			141	3		article

8 results found

Koninklijke Bibliotheek - National Library of the Netherlands