| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster
|
Vessally, Esmail
|
|
2016
|
28 |
3 |
p. 735-748
|
artikel
|
| 2 |
A theoretical study on the efficiency and role of guanidines-based organic superbases on carbon dioxide utilization in quinazoline-2,4(1H, 3H)-diones synthesis
|
Sabet-Sarvestani, Hossein
|
|
2016
|
28 |
3 |
p. 675-686
|
artikel
|
| 3 |
Carbamohydrazonothioate derivative—experimental and theoretical explorations of the crystal and molecular structure
|
Bankiewicz, Barbara
|
|
2016
|
28 |
3 |
p. 801-812
|
artikel
|
| 4 |
Carbene tetrel-bonded complexes
|
Liu, Mingxiu
|
|
2016
|
28 |
3 |
p. 823-831
|
artikel
|
| 5 |
Comparative study of NH···O and NH···S intramolecular hydrogen bonds in β-aminoacrolein, β-thioaminoacrolein and their halogenated derivatives by some usual methods
|
Nowroozi, Alireza
|
|
2016
|
28 |
3 |
p. 587-596
|
artikel
|
| 6 |
Conformational analysis, energy profile, and structural-electronic properties evaluation of mephedrone derivatives employing quantum-mechanical models
|
Kolodziejczyk, Wojciech
|
|
2016
|
28 |
3 |
p. 791-799
|
artikel
|
| 7 |
Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate
|
Roszak, Kinga
|
|
2016
|
28 |
3 |
p. 859-865
|
artikel
|
| 8 |
Conformational studies of new pseudotripeptide with pyrazine amidoxime motif and simplified analogs using IR, NMR spectroscopy, and molecular dynamic simulations
|
Ovdiichuk, Olga
|
|
2016
|
28 |
3 |
p. 813-822
|
artikel
|
| 9 |
Contribution to cation–π interaction of the univalent silver cation with racemic [7]helicene in the solid state
|
Klepetářová, Blanka
|
|
2015
|
28 |
3 |
p. 873-877
|
artikel
|
| 10 |
Effect of the species and number of heteroatom on the interaction energy and charge transfer between crown ether and alkali metal ions
|
Sun, Gang
|
|
2016
|
28 |
3 |
p. 749-756
|
artikel
|
| 11 |
Experimental and theoretical investigation of new furan and thiophene derivatives containing oxazole, isoxazole, or isothiazole subunits
|
Civcir, Pervin Ünal
|
|
2016
|
28 |
3 |
p. 773-790
|
artikel
|
| 12 |
Field-induced π-polarization in barrelene derivatives: a computational study based on structural variation
|
Campanelli, Anna Rita
|
|
2016
|
28 |
3 |
p. 617-624
|
artikel
|
| 13 |
George A. Olah (1927–2017)
|
Hargittai, Istvan
|
|
2017
|
28 |
3 |
p. 563-564
|
artikel
|
| 14 |
George A. Olah (1927–2017)
|
Hargittai, Istvan
|
|
|
28 |
3 |
p. 563-564
|
artikel
|
| 15 |
Halodiazirines and halodiazo compounds: a computational study of their thermochemistry and isomerization reaction
|
Zapata, Luz A.
|
|
2016
|
28 |
3 |
p. 597-605
|
artikel
|
| 16 |
Interaction of the divalent lead cation with cyclosporin A: an experimental and theoretical study
|
Makrlík, Emanuel
|
|
2016
|
28 |
3 |
p. 867-871
|
artikel
|
| 17 |
Interplay of thermochemistry and Structural Chemistry, the journal (volume 26, 2015, issue 5) and the discipline
|
Ponikvar-Svet, Maja
|
|
2016
|
28 |
3 |
p. 879-887
|
artikel
|
| 18 |
Interplay of thermochemistry and Structural Chemistry, the journal (volume 27, 2016, issues 1-2) and the discipline
|
Ponikvar-Svet, Maja
|
|
2017
|
28 |
3 |
p. 889-899
|
artikel
|
| 19 |
Lanthanide contraction effect on the crystal structures of 2D lanthanide coordination polymers based on 2-(trifluoromethyl)-1H-imidazole-4,5-dicarboxylic acid
|
Cai, Song-Liang
|
|
2016
|
28 |
3 |
p. 577-586
|
artikel
|
| 20 |
2-Methylthio-imidazolins: a rare case of different tautomeric forms in solid state and in solution
|
Enchev, Venelin
|
|
2016
|
28 |
3 |
p. 757-772
|
artikel
|
| 21 |
Molecular Modeling of Human CCR2 Receptor within POPC Lipid Bilayer
|
Ebadi, Ahmad
|
|
2016
|
28 |
3 |
p. 849-857
|
artikel
|
| 22 |
Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
|
Dowierciał, Anna
|
|
2016
|
28 |
3 |
p. 667-674
|
artikel
|
| 23 |
Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF5) functional group
|
Du, Junyi
|
|
2016
|
28 |
3 |
p. 723-733
|
artikel
|
| 24 |
Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated?
|
Jagiello, Karolina
|
|
2016
|
28 |
3 |
p. 635-643
|
artikel
|
| 25 |
Statistical methods and molecular docking for the prediction of thyroid hormone receptor subtype binding affinity and selectivity
|
Wang, Fangfang
|
|
2016
|
28 |
3 |
p. 833-847
|
artikel
|
| 26 |
Structural analysis and antitumor potential of novel 5,6-disubstituted-17a-homo-17-oxa-androstane derivatives
|
Kuzminac, Ivana
|
|
2016
|
28 |
3 |
p. 567-576
|
artikel
|
| 27 |
Structural Chemistry author wins Nobel Prize
|
Hargittai, Istvan
|
|
2016
|
28 |
3 |
p. 565-566
|
artikel
|
| 28 |
Structural systematics and conformational analyses of an isomer grid of nine tolyl-N-pyridinylcarbamates
|
Mocilac, Pavle
|
|
2016
|
28 |
3 |
p. 697-708
|
artikel
|
| 29 |
Structure and dynamics of a free aquaporin (AQP1) by a coarse-grained Monte Carlo simulation
|
Pandey, R. B.
|
|
2016
|
28 |
3 |
p. 625-633
|
artikel
|
| 30 |
Supramolecular solid-state structure, potential energy surfaces and evaluation of antiproliferative effect of 2-benzothiazolylhydrazone derivatives in vitro
|
Katava, Robert
|
|
2016
|
28 |
3 |
p. 709-721
|
artikel
|
| 31 |
The effect of nitro groups on the structures and energetic properties of the derivatives composed of TATB and cubane
|
Zhang, Jian-ying
|
|
2016
|
28 |
3 |
p. 645-654
|
artikel
|
| 32 |
Theoretical kinetic investigation of thermal decomposition of nitropropane
|
Wang, Rui
|
|
2016
|
28 |
3 |
p. 655-666
|
artikel
|
| 33 |
The unsubstituted ortho-amidino benzoic acid: crystal structure, characterization and pKa determination
|
Hordiyenko, Olga V.
|
|
2016
|
28 |
3 |
p. 607-616
|
artikel
|
| 34 |
The X−···benzohydrazide complexes: the interplay between anion-π and H-bond interactions
|
Azizi, Abolfazl
|
|
2016
|
28 |
3 |
p. 687-695
|
artikel
|
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