| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A brief note on Structural Chemistry in its 35th year of publication
|
Hargittai, Istvan
|
|
|
35 |
3 |
p. 707-708
|
artikel
|
| 2 |
A DFT study of H2S adsorption and sensing on Ti, V, Cr and Sc doped graphene surfaces
|
Tunalı, Ömer Faruk
|
|
|
35 |
3 |
p. 759-775
|
artikel
|
| 3 |
Aromaticity – a theoretical notion
|
Agranat, Israel
|
|
|
35 |
3 |
p. 715-720
|
artikel
|
| 4 |
A simple access to hexahydropyrimidine from 1,3-diamine: synthesis and solid-state characterization
|
Zerrouki, Abdelkhalek
|
|
|
35 |
3 |
p. 813-823
|
artikel
|
| 5 |
Crystal structures and properties of two aromatic carboxylic acid-based medicinal salts of paliperidone
|
Shen, Zheng
|
|
|
35 |
3 |
p. 967-975
|
artikel
|
| 6 |
Determination of dissociation constants of cephalosporin antibiotics by cellmetry method
|
Sadatsharifi, Malek
|
|
|
35 |
3 |
p. 961-966
|
artikel
|
| 7 |
Effect of C deuteration in forming isotopic polymorph of glycine silver nitrate
|
Chitra, R.
|
|
|
35 |
3 |
p. 853-870
|
artikel
|
| 8 |
Effect of sulfur defects on the photoelectric and magnetic properties of metal-doped CrS2: first-principles study
|
Liu, Huaidong
|
|
|
35 |
3 |
p. 923-941
|
artikel
|
| 9 |
Enhanced antioxidant properties of novel curcumin derivatives: a comprehensive DFT computational study
|
Boulmokh, Yamina
|
|
|
35 |
3 |
p. 825-839
|
artikel
|
| 10 |
Exploring two distinct crystallization pathways of pyridinoyl-hydrazone derivatives of isosteviol: true and pseudosymmetric homochiral motifs
|
Gerasimova, Daria P.
|
|
|
35 |
3 |
p. 1003-1019
|
artikel
|
| 11 |
Gunther S. Stent’s centennial—a pioneer in structural biology and philosopher of science
|
Hargittai, Istvan
|
|
|
35 |
3 |
p. 709-714
|
artikel
|
| 12 |
Insights into substitution effects and reactivity of Lindqvist-type polyoxometalates from DFT calculations
|
Nassar, Meriem
|
|
|
35 |
3 |
p. 885-896
|
artikel
|
| 13 |
In silico investigations of high-energy density properties and effect of ring fusion on dinitropyrazole derivatives
|
Subramani, Thangavel
|
|
|
35 |
3 |
p. 871-884
|
artikel
|
| 14 |
Investigation of structural, spectral, and electronic properties of complexes resulting from the interaction of acetonitrile and hypohalous acids
|
Moradkhani, Mohammadmehdi
|
|
|
35 |
3 |
p. 907-921
|
artikel
|
| 15 |
Investigations on thermal, dielectric, and quantum chemical calculations of 2-amino-5-chloropyridinium 4-aminobenzoate: a nonlinear optical material
|
V., Kannan.
|
|
|
35 |
3 |
p. 977-991
|
artikel
|
| 16 |
Molecular docking, expounding the regiospecificity, stereoselectivity, and the mechanism of [5+2] cycloaddition reaction between ethereal ether and oxidopyrylium
|
Aitouna, Anas Ouled
|
|
|
35 |
3 |
p. 841-852
|
artikel
|
| 17 |
Molecular dynamics simulation of potassium perfluorooctanesulfonate at the oil/water interface
|
Jiang, Rui
|
|
|
35 |
3 |
p. 897-906
|
artikel
|
| 18 |
Oxidation process of 1,4-dihydropyridine, 1,4-dihydropyrimidine, and pyrrolo-1,4-dihydropyrimidine: quantum chemical study
|
Shyshkina, Mariia O.
|
|
|
35 |
3 |
p. 993-1002
|
artikel
|
| 19 |
Salts containing different amino acids: l-argininium ( +) sarcosine halogenides
|
Tonoyan, Gayane S.
|
|
|
35 |
3 |
p. 943-952
|
artikel
|
| 20 |
Semi-coordination Cu–O bond on a copper complex featuring O,O-donor ligand as potential antibacterial agent: green synthesis, characterization, DFT, in-silico ADMET profiling and molecular docking studies
|
Syaima, Husna
|
|
|
35 |
3 |
p. 721-737
|
artikel
|
| 21 |
Structural evolution and electronic properties of medium-sized CrSin−/0 (n = 19–25) clusters
|
Wang, Kai
|
|
|
35 |
3 |
p. 1021-1029
|
artikel
|
| 22 |
Structural studies of mononuclear yttrium and lutetium complexes bearing anthracenide and polyphenyl-substituted cyclopentadienyl ligands
|
Bardonov, Daniil A.
|
|
|
35 |
3 |
p. 739-752
|
artikel
|
| 23 |
Synthesis, crystal structure, and catechol oxidase activity of a di-nuclear paddle-wheel Cu (II) carboxylate complex
|
Chakraborty, Priyanka
|
|
|
35 |
3 |
p. 791-799
|
artikel
|
| 24 |
The methylene blue and phenol red photocatalytic degradation study by cyclodextrin-ZnO nanostructures
|
Gharebaghi, A.
|
|
|
35 |
3 |
p. 801-812
|
artikel
|
| 25 |
Theoretical insights into the structural and magnetic properties of trimetallic Ni-Co–Rh nanoalloys
|
Taran, Songül
|
|
|
35 |
3 |
p. 777-790
|
artikel
|
| 26 |
The quadruple bond – 60 years – a tribute to F. Albert Cotton and other pioneers
|
Hargittai, Istvan
|
|
|
35 |
3 |
p. 1031-1034
|
artikel
|
| 27 |
Thermochemistry of monocharged anion substitutions in ionic solids
|
Glasser, Leslie
|
|
|
35 |
3 |
p. 753-758
|
artikel
|
| 28 |
The structure and Hirshfeld surface analysis of the 4-amino 3-nitrobenzoic acid triclinic polymorph
|
Narmanova, F. S.
|
|
|
35 |
3 |
p. 953-960
|
artikel
|
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