| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
AlSi2P nanotubes: a theoretical study
|
Ghafouri, Reza
|
|
2015
|
27 |
2 |
p. 525-533
|
artikel
|
| 2 |
A new hybrid (experimental–theoretical) quantitative method for detection of relative anomer concentrations in water
|
Karabulut, Sedat
|
|
2015
|
27 |
2 |
p. 449-455
|
artikel
|
| 3 |
Characterization of extraframework Zn2+ cationic sites in silicalite-2: a computational study
|
Ghashghaee, Mohammad
|
|
2015
|
27 |
2 |
p. 467-475
|
artikel
|
| 4 |
Crystal structure and thermal expansion of N,N,N′,N′-tetrakis-[(1H,2,4-triazol-1-yl)methyl]-ethane-1,2-diamine
|
Zerrouki, A.
|
|
2015
|
27 |
2 |
p. 697-704
|
artikel
|
| 5 |
DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes
|
Esrafili, Mehdi D.
|
|
2015
|
27 |
2 |
p. 595-604
|
artikel
|
| 6 |
Dispersion-corrected DFT study on the carbon monoxide sensing by B2C nanotubes: effects of dopant and interferences
|
Moradi, Morteza
|
|
2015
|
27 |
2 |
p. 535-542
|
artikel
|
| 7 |
Effects of the HCN adsorption on the structural and electronic parameters of the beryllium oxide nanotube
|
Marvi, Mina
|
|
2015
|
27 |
2 |
p. 557-571
|
artikel
|
| 8 |
Essential versus accidental isochrony of diastereotopic nuclei in NMR spectroscopy
|
Alkorta, Ibon
|
|
2015
|
27 |
2 |
p. 671-679
|
artikel
|
| 9 |
Experimental and theoretical study on cation–π interaction of Ag+ with [6]helicene
|
Makrlík, Emanuel
|
|
2015
|
27 |
2 |
p. 627-635
|
artikel
|
| 10 |
Global and local interactions in the structure of crystalline 7-(diethylamino)-2-(2-oxo-2H-chromen-3-yl)chromenium perchlorate
|
Zadykowicz, Beata
|
|
2015
|
27 |
2 |
p. 637-649
|
artikel
|
| 11 |
σ-Hole bond tunability in YO2X2:NH3 and YO2X2:H2O complexes (X = F, Cl, Br; Y = S, Se): trends and theoretical aspects
|
Esrafili, Mehdi D.
|
|
2015
|
27 |
2 |
p. 617-625
|
artikel
|
| 12 |
Insights into the mechanism of binding of the gold(III) dithiocarbamate derivatives to cysteine or DNA purine bases
|
Liao, Junzhao
|
|
2015
|
27 |
2 |
p. 651-662
|
artikel
|
| 13 |
Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach
|
Hokmabady, Leila
|
|
2015
|
27 |
2 |
p. 487-504
|
artikel
|
| 14 |
Intermolecular complexes of nido-C2B3H7 with HF and LiH molecules: the theoretical studies, bonding properties and natural bond orbital (NBO) analysis
|
Derikvand, Zohreh
|
|
2015
|
27 |
2 |
p. 477-485
|
artikel
|
| 15 |
James D. Watson 88—the discovery of the double helix was an iconic event in structural chemistry
|
Hargittai, Istvan
|
|
2015
|
27 |
2 |
p. 419-428
|
artikel
|
| 16 |
Nucleophilic properties of purine bases: inherent reactivity versus reaction conditions
|
Stachowicz-Kuśnierz, Anna
|
|
2015
|
27 |
2 |
p. 543-555
|
artikel
|
| 17 |
Substituent effect on the proton-related phenomena and chelation behavior of hydroxypicolinic compounds: a DFT investigation
|
Yasarawan, Nuttawisit
|
|
2015
|
27 |
2 |
p. 505-524
|
artikel
|
| 18 |
Syntheses and electrochemical properties of three supramolecular architectures based on Keggin silicontungstates and different metal-organic units
|
Zhang, Chunjing
|
|
2015
|
27 |
2 |
p. 439-447
|
artikel
|
| 19 |
Synthesis, crystal structure, spectral characterization, and theoretical study of glycolato peroxido complexes of vanadium(V)
|
Orešková, Gabriela
|
|
2015
|
27 |
2 |
p. 605-615
|
artikel
|
| 20 |
The B–C and C–C bonds as preferred electron source for H-bond and Li-bond interactions in complex pairing of C4B2H6 with HF and LiH molecules
|
Zabardasti, Abedien
|
|
2015
|
27 |
2 |
p. 573-581
|
artikel
|
| 21 |
The electronic structure of nanoparticle: theoretical study of small Cobalt clusters (Con, n = 2–5) (part A)
|
Pakiari, A. H.
|
|
2015
|
27 |
2 |
p. 583-593
|
artikel
|
| 22 |
Theoretical characterization of the chemical bonds of some three-membered ring compounds through QTAIM theory
|
Duarte, Darío J. R.
|
|
2015
|
27 |
2 |
p. 663-670
|
artikel
|
| 23 |
Theoretical investigation on the geometries and electronic properties of cesium–silicon CsSin (n = 2–12) clusters
|
Luo, Chang-Geng
|
|
2015
|
27 |
2 |
p. 457-465
|
artikel
|
| 24 |
Theoretical study of binding affinity for diamidine with DNA
|
Song, Chen
|
|
2015
|
27 |
2 |
p. 681-696
|
artikel
|
| 25 |
The structure of β-diketones related to curcumin determined by X-ray crystallography, NMR (solution and solid state) and theoretical calculations
|
Nieto, Carla I.
|
|
2015
|
27 |
2 |
p. 705-730
|
artikel
|
| 26 |
Tracking molecular charge distribution along reaction paths with atomic multipole moments
|
Langner, Karol M.
|
|
2016
|
27 |
2 |
p. 429-438
|
artikel
|
Tijdschrift beschrijving