| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational investigation on the antioxidant potential of myricetin 3,4′-di-O-α-L-rhamnopyranoside
|
Mendes, Rodrigo A.
|
|
2018
|
24 |
6 |
p. 1-8
|
artikel
|
| 2 |
An improved stochastic fractal search algorithm for 3D protein structure prediction
|
Zhou, Changjun
|
|
2018
|
24 |
6 |
p. 1-11
|
artikel
|
| 3 |
A study of the aromaticity of heteroannelated cyclooctatetraene derivatives
|
Abdukadir, Ablimit
|
|
2018
|
24 |
6 |
p. 1-12
|
artikel
|
| 4 |
Benchmark of different charges for prediction of the partitioning coefficient through the hydrophilic/lipophilic index
|
Fizer, Oksana
|
|
2018
|
24 |
6 |
p. 1-12
|
artikel
|
| 5 |
Blue M2: an intermediate melanoidin studied via conceptual DFT
|
Frau, Juan
|
|
2018
|
24 |
6 |
p. 1-13
|
artikel
|
| 6 |
Construction of a molecular structure model of mild-oxidized Chinese lignite using Gaussian09 based on data from FTIR, solid state 13C-NMR
|
Lu, Youzhi
|
|
2018
|
24 |
6 |
p. 1-7
|
artikel
|
| 7 |
Electronic structure, mechanical and thermodynamic properties of BaPaO3 under pressure
|
Khandy, Shakeel Ahmad
|
|
2018
|
24 |
6 |
p. 1-5
|
artikel
|
| 8 |
Exploring the effect of oxygen-containing functional groups on the water-holding capacity of lignite
|
Liu, Jie
|
|
2018
|
24 |
6 |
p. 1-10
|
artikel
|
| 9 |
Insight into hydrogen bonds and characterization of interlayer spacing of hydrated graphene oxide
|
Liu, Liyan
|
|
2018
|
24 |
6 |
p. 1-9
|
artikel
|
| 10 |
In-silico analysis of substituent effect on the static first order hyperpolarizability of electron donating mono substituted Chalcone derivatives
|
Nair, Lakshmi C. S.
|
|
2018
|
24 |
6 |
p. 1-16
|
artikel
|
| 11 |
In silico docking and molecular dynamics simulation of 3-dehydroquinate synthase (DHQS) from Mycobacterium tuberculosis
|
Isa, Mustafa Alhaji
|
|
2018
|
24 |
6 |
p. 1-12
|
artikel
|
| 12 |
Mechanism for the depolymerization of cellulose under alkaline conditions
|
Shao, Chunfu
|
|
2018
|
24 |
6 |
p. 1-11
|
artikel
|
| 13 |
Microwave effects on NiMoS and CoMoS single-sheet catalysts
|
Borges, I.
|
|
2018
|
24 |
6 |
p. 1-8
|
artikel
|
| 14 |
Molecular dynamics simulation of the folding of single alkane chains with different lengths on single-walled carbon nanotubes and graphene
|
Liu, Yan Fang
|
|
2018
|
24 |
6 |
p. 1-11
|
artikel
|
| 15 |
On bond-critical points in QTAIM and weak interactions
|
Wick, Christian R.
|
|
2018
|
24 |
6 |
p. 1-9
|
artikel
|
| 16 |
Resonance bonding in XNgY (X = F, Cl, Br, I; Ng = Kr or Xe; Y = CN or NC) molecules: an NBO/NRT investigation
|
Song, Junjie
|
|
2018
|
24 |
6 |
p. 1-7
|
artikel
|
| 17 |
Simulating the unimolecular decomposition pathways of cyclotrimethylnitramine (RDX)
|
Pahari, P.
|
|
2018
|
24 |
6 |
p. 1-12
|
artikel
|
| 18 |
Substituent effect of the stacking interaction between carbon monoxide and benzene
|
Zhao, Qiang
|
|
2018
|
24 |
6 |
p. 1-10
|
artikel
|
| 19 |
Theoretical investigations into the intermolecular hydrogen-bonding interactions of N-(hydroxymethyl)acetamide dimers
|
Tang, Hai-fei
|
|
2018
|
24 |
6 |
p. 1-12
|
artikel
|
| 20 |
Theoretical study of hydrogen storage in metal hydrides
|
Oliveira, Alyson C. M.
|
|
2018
|
24 |
6 |
p. 1-8
|
artikel
|
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