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11 results found

no	title	author	magazine	year	volume	issue	page(s)	type
1	A DFT study on the reaction mechanisms of phosphonation of heteroaryl N-oxides with H-phosphonates	Zhang, Wei		2015	1071	C	p. 33-38 6 p.	article
2	Computational study on stereoselective synthesis of substituted 1H-tetrazoles via a click reaction: DFT and QTAIM approaches	Hosseinnejad, Tayebeh		2015	1071	C	p. 53-60 8 p.	article
3	Corrigendum to “Possibility of distinguishing DNA bases and of tracking the keto–enol tautomerism by using high-order harmonic generation” [Comput. Theoret. Chem. 1043 (2014) 31–37]	Hoang, Van-Hung		2015	1071	C	p. 68- 1 p.	article
4	Density functional theory calculation of μ-oxo and μ-hydroxo bridged iron(III) aqua dimer complexes in perfluorinated sulfonic acid ionomer membranes	Yamaguchi, Makoto		2015	1071	C	p. 61-67 7 p.	article
5	DFT investigations for “Fischer” esterification mechanism over silica-propyl-SO3H catalyst: Is the reaction reversible?	Vafaeezadeh, Majid		2015	1071	C	p. 27-32 6 p.	article
6	Editorial Board			2015	1071	C	p. IFC- 1 p.	article
7	Hydrogen trapping potential of (HF) m (m =1–8) and (H2O) n (n =1–10) clusters	Mondal, Sukanta		2015	1071	C	p. 18-26 9 p.	article
8	Insight into the structural and electronic properties of Pd55− n Ni n (n =0–55) clusters: A density functional theory study	Zhu, Jianxiu		2015	1071	C	p. 9-17 9 p.	article
9	Methodologies and applications of Fisher coefficient	Meressa Abrha Welearegay,		2015	1071	C	p. 1-8 8 p.	article
10	The properties of hydrogenated derivatives of the alkali atom coated clusters C6M6 (M=Li, Na): A density functional study	Tang, Chunmei		2015	1071	C	p. 46-52 7 p.	article
11	Tuning the catalytic activity of Ag–Pd alloy cluster for hydrogen dissociation by controlling the Pd ratio	Zhang, Yanxing		2015	1071	C	p. 39-45 7 p.	article

11 results found

Koninklijke Bibliotheek - National Library of the Netherlands