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                             19 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab-initio potential energy curves of valence and Rydberg electronic states of the PO radical Izzaouihda, Safia
 2014
 1049 C p. 102-108
7 p.
 artikel
2 Ab initio study of the π–π interaction in the pyridine dimer: Effects of bond functions Zhang, Jiandong
 2014
 1049 C p. 82-89
8 p.
 artikel
3 Catalytic effect of water, water dimer, or formic acid on the tautomerization of nitroguanidine Du, Benni
 2014
 1049 C p. 90-96
7 p.
 artikel
4 Computational study of the reaction of dimethyl carbonate with methyl amine Samuilov, Alexander Y.
 2014
 1049 C p. 7-12
6 p.
 artikel
5 Editorial Board 2014
 1049 C p. IFC-
1 p.
 artikel
6 Halogen bonds between I2 and ion pairs: Interpreting the ability of ionic liquids in efficient capture of radioactive iodine Wang, Yanhua
 2014
 1049 C p. 97-101
5 p.
 artikel
7 Intermolecular hydrogen bonding of N-methylformamide in aqueous environment: A theoretical study Wang, Yun
 2014
 1049 C p. 28-34
7 p.
 artikel
8 Investigation of the structures, potential energy surface, transition states and vibrational frequencies of a vitamin E precursor-chroman in S0 and S1 states: DFT based computational study Das, Lakshmikanta
 2014
 1049 C p. 115-121
7 p.
 artikel
9 Mechanistic and kinetic investigations on the ozonolysis of isopropenyl acetate and propenyl acetate in atmosphere Li, Mingyue
 2014
 1049 C p. 42-50
9 p.
 artikel
10 Mechanistic insights into the stereoselective C2-functionalization of 1-substituted imidazoles with cyanophenylacetylene and aldehydes Wang, Yang
 2014
 1049 C p. 35-41
7 p.
 artikel
11 New mechanism of the direct pathway for formic acid oxidation on Pd(111) Wang, Yingying
 2014
 1049 C p. 51-54
4 p.
 artikel
12 Probing the structural and electronic properties of boron cluster anions doped with one or two aluminum atoms Gu, Jianbing
 2014
 1049 C p. 67-74
8 p.
 artikel
13 Pseudo Jahn–Teller origin of instability of planar configurations of hexa-heterocycles C4N2H4X2 (X=H, F, Cl, Br) Hermoso, Willian
 2014
 1049 C p. 109-114
6 p.
 artikel
14 TeO2 nanostructures as a NO2 sensor: DFT investigation Nagarajan, V.
 2014
 1049 C p. 20-27
8 p.
 artikel
15 The average local ionization energy and Fukui function of l-ascorbate, the local reactivity descriptors of antioxidant reactivity Jakobušić Brala, Cvijeta
 2014
 1049 C p. 1-6
6 p.
 artikel
16 The density functional studies of the doped gold cages Au17M (M=Cu, Ag, Li, Na, K) Tang, Chunmei
 2014
 1049 C p. 62-66
5 p.
 artikel
17 Theoretical characterization of sulfur and nitrogen dual-doped graphene Denis, Pablo A.
 2014
 1049 C p. 13-19
7 p.
 artikel
18 Theoretical study of the structural and optical properties of cytosine analogues Liu, Hongxia
 2014
 1049 C p. 75-81
7 p.
 artikel
19 Understanding molecular properties of halogenated cyclohexane – A DFT study Umadevi, V.
 2014
 1049 C p. 55-61
7 p.
 artikel
                             19 gevonden resultaten
 
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