| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A chemical rationalization of the processing and application of the mortar coatings: Structural, thermodynamic, and fluorescence properties
|
Lima, Nathan B.
|
|
2018
|
1164 |
C |
p. 546-555
|
artikel
|
| 2 |
Addendum to “Harmony of computational quantum chemistry and experimental chemistry: Comprehensive DFT studies, microsynthesis, and characterization of mustard gas polysulfide analogues” [J. Mol. Struct. (2018) 57–62]
|
Saeidian, Hamid
|
|
2018
|
1164 |
C |
p. 259
|
artikel
|
| 3 |
Anisotropic dielectric phase transition triggered by pendulum-like motion coupled with proton transfer in a layered hybrid crystalline material (4-nitroanilinium+) (18-crown-6) (H2PO4 −) (H3PO4)2
|
Liu, Yang
|
|
2018
|
1164 |
C |
p. 556-562
|
artikel
|
| 4 |
Assignment of the relative and absolute stereochemistry of two novel epoxides using NMR and DFT-GIAO calculations
|
Moraes, F.C.
|
|
2018
|
1164 |
C |
p. 109-115
|
artikel
|
| 5 |
A vibrational study of inulin by means of experimental and theoretical methods
|
Balan, C.
|
|
2018
|
1164 |
C |
p. 84-88
|
artikel
|
| 6 |
Conformational and characterization of benidipine hydrochloride polymorphs: Spectroscopic and computational modeling investigations
|
Li, Linwei
|
|
2018
|
1164 |
C |
p. 493-500
|
artikel
|
| 7 |
Crystal structure of 9,9′-(4,4′-(silinane-1,1-diyl)bis(4,1-phenylene))bis(9H-carbazole) and its photophysical and electrochemical properties
|
Park, Yoona
|
|
2018
|
1164 |
C |
p. 23-27
|
artikel
|
| 8 |
Density functional theory study of carbazole dyes: Potential application of carbazole dyes in dye-sensitized solar cells
|
Salimi Beni, Alireza
|
|
2018
|
1164 |
C |
p. 155-163
|
artikel
|
| 9 |
DFT and TD-DFT study of the adsorption and detection of sulfur mustard chemical warfare agent by the C24, C12Si12, Al12N12, Al12P12, Be12O12, B12N12 and Mg12O12 nanocages
|
Jouypazadeh, Hamidreza
|
|
2018
|
1164 |
C |
p. 227-238
|
artikel
|
| 10 |
Editorial Board
|
|
|
2018
|
1164 |
C |
p. ii
|
artikel
|
| 11 |
Effect of cation-anion interactions on the structural and vibrational properties of 1-buthyl-3-methyl imidazolium nitrate ionic liquid
|
Kausteklis, Jonas
|
|
2018
|
1164 |
C |
p. 563-576
|
artikel
|
| 12 |
Fourier transform microwave spectroscopy of AgCN and AuCN
|
Okabayashi, Toshiaki
|
|
2018
|
1164 |
C |
p. 539-545
|
artikel
|
| 13 |
Functionalization of Ti99.2 substrates surface by hybrid treatment investigated with spectroscopic methods
|
Jasinski, Jaroslaw Jan
|
|
2018
|
1164 |
C |
p. 412-419
|
artikel
|
| 14 |
Green synthesis of nano sized transition metal complexes containing heterocyclic Schiff base: Structural and morphology characterization and bioactivity study
|
Jawoor, Shailaja S.
|
|
2018
|
1164 |
C |
p. 378-385
|
artikel
|
| 15 |
1H–pyrazole–3–carboxylic acid: Experimental and computational study
|
Altürk, Sümeyye
|
|
2018
|
1164 |
C |
p. 28-36
|
artikel
|
| 16 |
Hydrogen-bonded structures from adamantane-based catechols
|
Kawahata, Masatoshi
|
|
2018
|
1164 |
C |
p. 116-122
|
artikel
|
| 17 |
Hydrogen-bonding interactions between 1-butyl-2,3-dimethylimidazolium tetrafluoroborate and dimethyl sulphoxide
|
Zheng, Yan-Zhen
|
|
2018
|
1164 |
C |
p. 70-76
|
artikel
|
| 18 |
Insights into the structural/conformational requirements of cytotoxic oxadiazoles as potential chemotherapeutic target binding agents
|
Alikhani, Radin
|
|
2018
|
1164 |
C |
p. 9-22
|
artikel
|
| 19 |
In situ monitoring the moisture absorption of three ionic liquids with different halogen anions by ATR-FTIR spectroscopy
|
Fan, Zhaosheng
|
|
2018
|
1164 |
C |
p. 297-302
|
artikel
|
| 20 |
Investigation of charge-transfer hydrogen bonding interaction of 1-(2-pyridylazo)-2-naphthol (PAN) and 4-(2-Pyridylazo)resorcinol (PAR) with chloranilic acid through experimental and DFT studies
|
Karmakar, Animesh
|
|
2018
|
1164 |
C |
p. 404-411
|
artikel
|
| 21 |
Investigation of nitrogen transport in active screen plasma nitriding processes – Uphill diffusion effect
|
Jasinski, J.J.
|
|
2018
|
1164 |
C |
p. 37-44
|
artikel
|
| 22 |
Investigation on the performance of PCM/TD-DFT functionals (standard pure, hybrid and long-range corrected) in simulating the absorption and emission spectra of 1-(2,5-dimethylfuran-3-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one dye in different solvents
|
Wazzan, Nuha A.
|
|
2018
|
1164 |
C |
p. 289-296
|
artikel
|
| 23 |
IR investigation on silicon oxycarbide structure obtained from precursors with 1:1 silicon to carbon atoms ratio and various carbon atoms distribution
|
Niemiec, Wiktor
|
|
2018
|
1164 |
C |
p. 217-226
|
artikel
|
| 24 |
Luminescence properties and DFT calculations of lanthanide(III) complexes (Ln = La, Nd, Sm, Eu, Gd, Tb, Dy) with 2,6-bis(5-methyl-benzimidazol-2-yl)pyridine
|
Cruz-Navarro, Antonio
|
|
2018
|
1164 |
C |
p. 209-216
|
artikel
|
| 25 |
Mixed-ligand complexes of zinc(II) with 1,1-dicyanoethylene-2,2-dithiolate and N-donor ligands: A combined experimental and theoretical study
|
Singh, Mahesh Kumar
|
|
2018
|
1164 |
C |
p. 334-343
|
artikel
|
| 26 |
Molecular docking studies on fluoro-substituted chalcones as potential DprE1 enzyme inhibitors
|
Yalcin, Gozde
|
|
2018
|
1164 |
C |
p. 50-56
|
artikel
|
| 27 |
Naphthaldimine-based simple glucose derivative as a highly selective sensor for colorimetric detection of Cu2+ ion in aqueous media
|
Dolai, Bholanath
|
|
2018
|
1164 |
C |
p. 370-377
|
artikel
|
| 28 |
New look at the Badger-Bauer rule: Correlations of spectroscopic IR and NMR parameters with hydrogen bond energy and geometry. FHF complexes
|
Tupikina, E.Yu.
|
|
2018
|
1164 |
C |
p. 129-136
|
artikel
|
| 29 |
Novel liquid crystals with high fluorescence: Synthesis, mesomorphic and photophysical properties of cholesterol-triazine-BODIPY trimers
|
Xiong, Yuzhi
|
|
2018
|
1164 |
C |
p. 311-316
|
artikel
|
| 30 |
Observation of 3D isostructurality in halogen substituted N-benzoyl-N-phenylbenzamides
|
Shukla, Rahul
|
|
2018
|
1164 |
C |
p. 280-288
|
artikel
|
| 31 |
One pot synthesis of new heterocyclic systems: Polysubstituted pyrano[3,2-c]chromene and benzo[g]chromene derivatives
|
Nasri, Shima
|
|
2018
|
1164 |
C |
p. 77-83
|
artikel
|
| 32 |
One pot synthesis of two Mn(II) perchlorate complexes with s-triazine NNN-pincer ligand; molecular structure, Hirshfeld analysis and DFT studies
|
Soliman, Saied M.
|
|
2018
|
1164 |
C |
p. 344-353
|
artikel
|
| 33 |
pH induced structural variation of two new Cd(II) compounds: From 2D layer to 3D pillar-layered framework
|
Dong, Yan-Li
|
|
2018
|
1164 |
C |
p. 89-93
|
artikel
|
| 34 |
Solid-state supramolecular structure formed between the 1-(diaminomethylene)thiourea and mellitic acid
|
Janczak, Jan
|
|
2018
|
1164 |
C |
p. 303-310
|
artikel
|
| 35 |
Solution-phase microwave assisted parallel synthesis, biological evaluation and in silico docking studies of 2-chlorobenzoyl thioureas derivatives
|
Khan, Muhammad Riaz
|
|
2018
|
1164 |
C |
p. 354-362
|
artikel
|
| 36 |
Spectroscopic and thermal study of a new glass from TeO2 Ga2O3 GeO2 system
|
Marczewska, Agnieszka
|
|
2018
|
1164 |
C |
p. 100-108
|
artikel
|
| 37 |
Spectroscopic characterization of 8-hydroxy-5-nitroquinoline and 5-chloro-8-hydroxy quinoline and investigation of its reactive properties by DFT calculations and molecular dynamics simulations
|
Sureshkumar, B.
|
|
2018
|
1164 |
C |
p. 525-538
|
artikel
|
| 38 |
Spectroscopic investigation, hirshfeld surface analysis and molecular docking studies on anti-viral drug entecavir
|
Fathima Rizwana, B.
|
|
2018
|
1164 |
C |
p. 447-458
|
artikel
|
| 39 |
Structural and vibrational characteristics of a non-linear optical material 3-(4-nitrophenyl)-1-(pyridine-3-yl) prop-2-en-1-one probed by quantum chemical computation and spectroscopic techniques
|
Kumar, Ram
|
|
2018
|
1164 |
C |
p. 180-190
|
artikel
|
| 40 |
Structural studies of tellurite glasses doped with erbium ions
|
Pach, Katarzyna
|
|
2018
|
1164 |
C |
p. 328-333
|
artikel
|
| 41 |
Structure, electronic, spectroscopic and reactivity investigations of pharmacologically active compound 1–acetyl–3–indolecarboxaldehyde – An experimental and theoretical approach
|
Durgadevi, G.
|
|
2018
|
1164 |
C |
p. 57-69
|
artikel
|
| 42 |
Study of the triplet excited states and DFT calculations of iridium(III) complexes with mixed ligands
|
Yoshikawa, Naokazu
|
|
2018
|
1164 |
C |
p. 164-171
|
artikel
|
| 43 |
Study on the structure, vibrational analysis and molecular docking of fluorophenyl derivatives using FT-IR and density functional theory computations
|
Al-Tamimi, Abdul-Malek S.
|
|
2018
|
1164 |
C |
p. 172-179
|
artikel
|
| 44 |
Syntheses, crystal structures and photoluminescence properties of five Cd/Zn–organic frameworks
|
Li, Qing
|
|
2018
|
1164 |
C |
p. 123-128
|
artikel
|
| 45 |
Syntheses, spectroscopic characterization, SOD-like properties and antibacterial activities of dimer copper (II) and nickel (II) complexes based on imine ligands containing 2-aminothiophenol moiety: X-ray crystal structure determination of disulfide Schiff bases
|
Bharti, Sulakshna
|
|
2018
|
1164 |
C |
p. 137-154
|
artikel
|
| 46 |
Synthesis and antibacterial studies of rhodium and iridium complexes comprising of dipyridyl hydrazones
|
Aradhyula, Basava Punna Rao
|
|
2018
|
1164 |
C |
p. 191-199
|
artikel
|
| 47 |
Synthesis and characterization of homoleptic group 10 dithiocarbamate complexes and heteroleptic Ni(II) complexes, and the use of the homoleptic Ni(II) for the preparation of nickel sulphide nanoparticles
|
Bobinihi, Felicia F.
|
|
2018
|
1164 |
C |
p. 475-485
|
artikel
|
| 48 |
Synthesis and structural characterization of lithium, sodium and potassium complexes supported by a tridentate amino-bisphenolate ligand
|
Durango-García, Clara J.
|
|
2018
|
1164 |
C |
p. 248-258
|
artikel
|
| 49 |
Synthesis and structure identification of 2-amino-4, 6- dimethyl pyrimidine with gallic acid and pimelic acid
|
Mekala, R.
|
|
2018
|
1164 |
C |
p. 501-515
|
artikel
|
| 50 |
Synthesis, characterisaion and antimicrobial activity of polypropylenamine metallodendrimers modified with 1,8-naphthalimides
|
Staneva, Desislava
|
|
2018
|
1164 |
C |
p. 363-369
|
artikel
|
| 51 |
Synthesis, characterization and structures of copper(II) and cobalt(II) complexes involving N3S-coordinated tetradentate ligand and azide/ thiocyanate/ nitrite ion
|
Sadhu, Mehul H.
|
|
2018
|
1164 |
C |
p. 239-247
|
artikel
|
| 52 |
Synthesis, characterization, nucleic acid interactions and photoluminescent properties of methaniminium hydrazone Schiff base and its Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes
|
Sennappan, M.
|
|
2018
|
1164 |
C |
p. 271-279
|
artikel
|
| 53 |
Synthesis, molecular structure, Hirshfeld surface, spectral investigations and molecular docking study of 3-(5-bromo-2-thienyl)-1-(4-fluorophenyl)-3-acetyl-2-pyrazoline (2) by DFT method
|
Sathish, M.
|
|
2018
|
1164 |
C |
p. 420-437
|
artikel
|
| 54 |
Synthesis of a zinc(II) complex with hexadentate N4S2 donor thioether ligand: X-ray structure, DNA binding study and DFT computation
|
Mondal, Apurba Sau
|
|
2018
|
1164 |
C |
p. 94-99
|
artikel
|
| 55 |
Synthesis of symmetrical and asymmetrical azines from hydrazones and/or ferrocenecarboxaldehyde as potential antimicrobial–antitumor agents
|
Lasri, Jamal
|
|
2018
|
1164 |
C |
p. 1-8
|
artikel
|
| 56 |
Synthesis of t-butyl 2-(4-hydroxy-3-methoxybenzylidene)hydrazine carboxylate: Experimental and theoretical investigations of its properties
|
Bhat, Muzzaffar A.
|
|
2018
|
1164 |
C |
p. 516-524
|
artikel
|
| 57 |
Synthesis, spectroscopic analyses, chemical reactivity and molecular docking study and anti-tubercular activity of pyrazine and condensed oxadiazole derivatives
|
Al-Tamimi, Abdul-Malek S.
|
|
2018
|
1164 |
C |
p. 459-469
|
artikel
|
| 58 |
Synthesis, spectroscopic characterization, DFT studies and antifungal activity of (E)-4-amino-5-[N'-(2-nitro-benzylidene)-hydrazino]-2,4-dihydro-[1,2,4]triazole-3-thione
|
Joshi, Rachana
|
|
2018
|
1164 |
C |
p. 386-403
|
artikel
|
| 59 |
Synthesis, X-ray structural, Hirshfeld surface analysis, FTIR, MEP and NBO analysis using DFT study of a 4-chlorobenzylammonium nitrate (C7ClH9N)+(NO3)–
|
Hakiri, R.
|
|
2018
|
1164 |
C |
p. 486-492
|
artikel
|
| 60 |
Theoretical investigation of the photophysical properties of donor-acceptor dyes containing coumarin and naphthoquinone moieties linked by an aminomethylene bridge
|
Sousa, Mikaelly O.B.
|
|
2018
|
1164 |
C |
p. 260-270
|
artikel
|
| 61 |
Towards the synthesis of prenylated phloroglucinol derivatives: An X-ray crystallographic and DFT study of unexpected reaction products
|
Akerman, Matthew P.
|
|
2018
|
1164 |
C |
p. 438-446
|
artikel
|
| 62 |
Two carboxylic ligands controlled coordination polymers based on CdII ion
|
Liu, Ruichao
|
|
2018
|
1164 |
C |
p. 45-49
|
artikel
|
| 63 |
Unexpected formation of 1-[4-chloromethylphenyl]-5-[4-(methylsulfonyl)benzyl]-1H-tetrazole and 1-[4-chloromethylphenyl]-5-[4-(aminosulfonyl)phenyl]-1H-tetrazole: Crystal structure, bioassay screening and molecular docking studies
|
Jawabrah Al-Hourani, Baker
|
|
2018
|
1164 |
C |
p. 317-327
|
artikel
|
| 64 |
XPS and 31P NMR inquiry of Eu3+-induced structural modification in SnO-containing phosphate glass
|
Jiménez, José A.
|
|
2018
|
1164 |
C |
p. 470-474
|
artikel
|
| 65 |
X-ray, DFT, FTIR and thermal study of the antimicrobial N-benzenesulfonyl-1H-1,2,3-benzotriazole
|
Komrovsky, Fabián
|
|
2018
|
1164 |
C |
p. 200-208
|
artikel
|
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