A new copper(II) chelate complex with tridentate ligand: Synthesis, crystal and molecular electronic structure of aqua-(diethylenetriamine-N, N′, N′′)-copper(II) sulfate monohydrate and its fire retardant properties Fulltext Access 8 Pages 2015
M(II)-coordination polymers (M = Zn and Cd) constructed from 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane and 1,4-benzenedicarboxylic acid Fulltext Access 8 Pages 2015
Crystal structure, spectroscopic and thermal properties of [Zn(Lap)2(DMF)(H2O)] and isomorphous [M(Lap)2]n (M: Cd, Mn) complexes Fulltext Access 8 Pages 2015
Synthesis, spectroscopic identification, thermal, potentiometric and antibacterial activity studies of 4-amino-5-mercapto-S-triazole Schiff’s base complexes Fulltext Access 8 Pages 2015
Synthesis, spectral, X-ray single structure, DFT calculations and antimicrobial activities of [Co(II)X2 (dmphen)] (X = Br and SCN−) Fulltext Access 8 Pages 2015
Synthesis, structural characterization, in-vitro antibiogram assay and efficient catalytic activities of transition metal(II) chelates incorporating (E)-(2-((2-hydroxybenzylidene)amino)phenyl)(phenyl)methanone ligand Fulltext Access 8 Pages 2015
Nano/microstructure and optical properties of ZnO particles precipitated from zinc acetylacetonate Fulltext Access 8 Pages 2015
Design and spectroscopic characterization of novel series of near infrared indocyanine dyes Fulltext Access 8 Pages 2015
Unravelling the reaction mechanism of matrix metalloproteinase 3 using QM/MM calculations Fulltext Access 8 Pages 2015
Metallacycles or coexistence of isomeric metallacycle and chain: Anion-dependent luminescent Ag complexes of a flexible diaminotriazine–imidazole ligand Fulltext Access 8 Pages 2015
Characterization of a new anhydrous form of Rotundine and its monohydrate Fulltext Access 8 Pages 2015
Temperature dependent cation distribution correlated with optical and magnetic properties of nanocrystalline NiFe1.8Gd0.2O4 Fulltext Access 8 Pages 2015
Synthesis and properties of azonaphtharylamide pigments having arylamide groups at 2- and 7-positions Fulltext Access 8 Pages 2015
Probing thermal stability of the β-lactoglobulin–oleic acid complex by fluorescence spectroscopy and molecular modeling Fulltext Access 8 Pages 2015
Electronic and conformational features of derivatives of meso-thien-2-ylporphyrins on protonation and perbromination Fulltext Access 8 Pages 2015
Synthesis, X-ray structure analysis and density functional study of an unusual anhydrous 5,6-dimethylbenzo-1,3-imidazolium(H3) chloride Fulltext Access 8 Pages 2015
Synthesis and dynamic stereochemistry of 4-aryl-thiomorpholine-3,5-dione derivatives Fulltext Access 8 Pages 2015
1-(Naphthylamino)-1-(p-chlorophenylhydrazono)-2-propanone and 2-(p-tolyldiazenyl)-[1H]-3-methylbenzo[g]indole: Crystallographic and spectroscopic elucidation of the cyclisation of an arylamidrazone Fulltext Access 8 Pages 2015
The stacking geometries and association thermodynamics of oxalyl acid N,Nâ²-dibenzoyl-hydrazide derivatives studied by NMR Fulltext Access 8 Pages 2015
Structural determination; vibration study and thermal decomposition of [C5H6N5]2SeO4⋅2H2O Fulltext Access 8 Pages 2015
Spectroscopy and photophysics of trimethyl-substituted derivatives of 5-deazaalloxazine. Experimental and theoretical approaches Fulltext Access 8 Pages 2015
Crystal structure, IR spectroscopic and optical properties of the two (C11N4H10)4·H2O and (C11N4H10)2·H2O compounds Fulltext Access 8 Pages 2015
Quantum mechanical and experimental analyses of TNT metabolite 2-hydroxylamino-4,6-dinitrotoluene Fulltext Access 8 Pages 2015
Synthesis, crystal structures, fluorescence and xanthine oxidase inhibitory activity of pyrazole-based 1,3,4-oxadiazole derivatives Fulltext Access 8 Pages 2015
Proteoglycans regulate autophagy via outside-in signaling: an emerging new concept Fulltext Access 8 Pages 2015
Influence of carbonate ion in the crystallization medium on the formation and chemical composition of CaHA–SrHA solid solutions Fulltext Access 8 Pages 2015
Syntheses, structures and properties of Zn(II) and Cu(II) complexes based on N2-2-methylenepyridinyl 1,2,3-triazole ligand Fulltext Access 8 Pages 2015
Multinuclear NMR and crystallographic studies of triorganotin valproates and their in vitro antifungal activities Fulltext Access 8 Pages 2015
The effect of cyclic thiourea functionalization and β,β′-dialkylbithiophene linker on the performance of triphenylamine dyes Fulltext Access 8 Pages 2015
Dissociative photoionization of ethyl acrylate: Theoretical and experimental insights Fulltext Access 8 Pages 2015
An experimental and theoretical study of a hydrogen-bonded complex: O-phenylenediamine with 2,6-pyridinedicarboxylic acid Fulltext Access 8 Pages 2015
Synthesis, crystal structure, computational and photophysical studies of new hydrazono-thiazole derivatives decorated with N-methyl tetrahydrocarbazole pendant Fulltext Access 8 Pages 2015
Synthesis, structure investigation and biological evaluation of 2-thiophene N(4)-phenylthiosemicarbazone and its three metal derivatives Fulltext Access 8 Pages 2015
One-pot synthesis, structural characterization, UV–Vis and electrochemical analyses of new Schiff base complexes of Fe(III), Ni(II) and Cu(II) Fulltext Access 8 Pages 2015
New silver(I) coordination polymers constructed from pyrazine derivatives and aromatic carboxylic acids: Syntheses, structures and photoluminescence Fulltext Access 8 Pages 2015
Comparison on the interaction of Al3+/nano-Al13 with calf thymus DNA /salmon sperm DNA Fulltext Access 8 Pages 2015
FT-IR, FT-Raman, UV, NMR spectra and molecular structure investigation of (E)-2-(3-chloropyrazin-2-yl)-1-(3-ethyl-2, 6-diphenyl piperidin-4-ylidene) hydrazine: A combined experimental and theoretical study Fulltext Access 8 Pages 2015
Gas phase reaction of phosphorus trichloride and methanol: Matrix isolation infrared and DFT studies Fulltext Access 8 Pages 2015
Three-dimensional quantitative structure–activity relationship study on anti-cancer activity of 3,4-dihydroquinazoline derivatives against human lung cancer A549 cells Fulltext Access 8 Pages 2015
An investigation of the oxidation mechanism of abietic acid using two-dimensional infrared correlation spectroscopy Fulltext Access 8 Pages 2015
Dy3+-doped tellurite based tungsten-zirconium glasses: Spectroscopic study Fulltext Access 8 Pages 2015
New N-(carboxyethyl)-2-methylbenzothiazole-based hemicyanine dyes: Synthesis, spectra, photostability and association with bovine serum albumin Fulltext Access 8 Pages 2015
Synthesis, spectral characterization, single crystal X-ray diffraction and DFT studies of 4-((2,4,5-triphenyl-1H-imidazol-1-yl)methyl)pyridine derivatives Fulltext Access 8 Pages 2015
Raman, IR and DFT studies of mechanism of sodium binding to urea catalyst Fulltext Access 8 Pages 2015
Infrared and Raman spectra, DFT-calculations and spectral assignments of 1,1,3,3,5,5-hexafluoro-1,3,5-trisilacyclohexane Fulltext Access 8 Pages 2015
Synthesis, structure, terahertz spectroscopy and luminescent properties of copper (I) complexes with bis(diphenylphosphino)methane and N-donor ligands Fulltext Access 8 Pages 2015
Synthesis, structural and biochemical activity studies of a new hexadentate Schiff base ligand and its Cu(II), Ni(II), and Co(II) complexes Fulltext Access 8 Pages 2015
Synthesis, crystal structure, and vibrational study of K2Cu(HPO4)2·6H2O: A new metal hydrogenphosphate compound Fulltext Access 8 Pages 2015
The synthesis and structure of gemini QASs of 1,4:3,6-dianhydro-l-iditol Fulltext Access 8 Pages 2015
Electronic effects on keto-enol tautomerism of p-substituted aryl-1,3-diketone malonates Fulltext Access 8 Pages 2015
Synthesis, characterization and biological activities of metal(II) dipicolinate complexes derived from pyridine-2,6-dicarboxylic acid and 2-(piperazin-1-yl)ethanol Fulltext Access 8 Pages 2015
On the molecular structure of (E)-3-(9H-fluoren-2-yl)-1-(pyridin-2-yl)prop-2-en-1-one, theoretical calculations and SXRD studies Fulltext Access 8 Pages 2015
Rapid authentication of different ages of tissue-cultured and wild Dendrobium huoshanense as well as wild Dendrobium henanense using FTIR and 2D-COS IR Fulltext Access 8 Pages 2015
Synthesis, characterization, X-ray structure and photoluminescence properties of two Ce(III) complexes derived from pentadentate ligands Fulltext Access 8 Pages 2015
Growth and characterization of l-histidinium – 4-nitrobenzoate (1:1) multi-component molecular complex Fulltext Access 8 Pages 2015
Studies on the complexation of diclofenac sodium with β–cyclodextrin: Influence of method of preparation Fulltext Access 8 Pages 2015
Interlayer interaction in Ca-Fe layered double hydroxides intercalated with nitrate and chloride species Fulltext Access 8 Pages 2015
Synthesis, structure and some properties of a manganese(II) benzoate containing diimine Fulltext Access 8 Pages 2015
Effect of MPS concentration on ripening kinetics and structural properties of CdS quantum dots in self-assembled thin films Fulltext Access 8 Pages 2015
Synthesis and characterization of semiorganic sodium hydrogen maleate trihydrate (SHMT) single crystal: A third-order nonlinear optical material Fulltext Access 8 Pages 2015
An improved poly(A) motifs recognition method based on decision level fusion Fulltext Access 8 Pages 2015
Exploring the relationship between hub proteins and drug targets based on GO and intrinsic disorder Fulltext Access 8 Pages 2015
Evaluation of the effect of the chiral centers of Taxol on binding to β-tubulin: A docking and molecular dynamics simulation study Fulltext Access 8 Pages 2015
Comparative analysis of the mechanisms of sulfur anion oxidation and reduction by dsr operon to maintain environmental sulfur balance Fulltext Access 8 Pages 2015
In silico drug re-purposing against African sleeping sickness using GlcNAc-PI de-N-acetylase as an experimental target Fulltext Access 8 Pages 2015
Structural and functional impact of missense mutations in TPMT: An integrated computational approach Fulltext Access 8 Pages 2015
The first naphthosemiquinone complex of K+ with vitamin K3 analog: Experiment and density functional theory Fulltext Access 8 Pages 2015
DFT study on foscarnet as an antiviral drug: Conformer analysis, gas phase acidity, metal ion affinity and influence of metal complexation on gas phase acidity Fulltext Access 8 Pages 2015
Series metal–organic frameworks constructed from 1,10-phenanthroline and 3,3′,4,4′-biphenyltetracarboxylic acid: Hydrothermal synthesis, luminescence and photocatalytic properties Fulltext Access 8 Pages 2015
Synthesis and physico-chemical studies of a novel organo-metallic compound CdCl2(C6H4FNH2)2 Fulltext Access 8 Pages 2015
Synthesis and structural characterization of dinuclear Cd2+, Hg2+ and Fe2+ complexes with neutral bi and tetradentate flexible pyrazole-based ligands Fulltext Access 8 Pages 2015
Synthesis, structural and spectroscopic characterizations of maghemite γ-Fe2O3 prepared by one-step coprecipitation route Fulltext Access 8 Pages 2015
Synthesis, molecular structure and vibrational spectra of 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-diones Fulltext Access 8 Pages 2015
Growth, hyperpolarizability, characterization and theoretical studies of NLO active tris(allylthiourea)mercury(II) chloride Fulltext Access 8 Pages 2015
Synthesis, structure and characterization of two new Zn(II) and Cd(II) complexes with the bidentate ligand 2-[(2-aminoethyl)amino]ethanaminium (AEEA) Fulltext Access 8 Pages 2015
Synthesis of two nickel (II) complexes bearing pyrrolide-imine ligand and their catalytic effects on thermal decomposition of ammonium perchlorate Fulltext Access 8 Pages 2015
Synthesis, spectroscopic characterization, antimicrobial activity and crystal structure of [Ag2(C10H10N3O3S)2(C5H5N)3] Fulltext Access 8 Pages 2015
Effect of doping of Nd3+ ions in BaO–TeO2–B2O3 glasses: A vibrational and optical study Fulltext Access 8 Pages 2015
H7N9 influenza outbreak in China 2013: In silico analyses of conserved segments of the hemagglutinin as a basis for the selection of peptide vaccine targets Fulltext Access 8 Pages 2015
The role of steric constraints in the formation of rare aqua bridged coordination polymers: Synthesis, characterization and X-ray structures of polymeric, [Cu(2-chlorobenzoate)2(β-picoline)2(μ-H2O)]n and monomeric, [Cu(2-chlorobenzoate)2(γ-picoline)2(H2O) Fulltext Access 8 Pages 2015
Synthesis, and characterization of low- and high-spin manganese(II) complexes of polyfunctional adipoyldihydrazone: Effect of coordination of N-donor ligands on stereo-redox chemistry Fulltext Access 8 Pages 2015
Low-temperature phase transitions in [Cd(DMSO)6](BF4)2 studied by differential scanning calorimetry, X-ray single crystal diffraction and infrared absorption spectroscopy Fulltext Access 8 Pages 2015
The relationship between environmental abundant electromagnetic fields and packaging shape to their effects on the 17O NMR and Raman spectra of H2O–NaCl Fulltext Access 8 Pages 2015
Supramolecular structure formation of molecular copper(II)methylsalicylate complexes with nicotinamide or methylnicotinamide – Crystal structure and spectral properties Fulltext Access 8 Pages 2015
Copper(II) ion catalytic oxidation of o-phenylenediamine and characterization, X-ray crystal structure and solution studies of the final product [DAPH][H3O][Cu(dipic)2]·3H2O Fulltext Access 8 Pages 2015
Combined experimental (FT-IR, UV-visible spectra, NMR) and theoretical studies on the molecular structure, vibrational spectra, HOMO, LUMO, MESP surfaces, reactivity descriptor and molecular docking of Phomarin Fulltext Access 8 Pages 2015
Synthesis, characterization and comparative study of a series of fluorinated Schiff bases containing different orientation CHN spacers Fulltext Access 8 Pages 2015
NMR, FT-IR, Raman and UV–Vis spectroscopic investigation and DFT study of 6-Bromo-3-Pyridinyl Boronic Acid Fulltext Access 8 Pages 2015
Photophysical and theoretical studies on newly synthesized N,N-diphenylamine based azo dye Fulltext Access 8 Pages 2015