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- Volume 9, Issue 1, 2019
Current Physical Chemistry - Volume 9, Issue 1, 2019
Volume 9, Issue 1, 2019
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Quantum Chemical Studies on the Spectroscopic, Electronic Structural and Nonlinear Properties of an Organic N-Methyl-N-(2,4,6-Trinitrophenyl) Nitramide Energetic Molecule
Authors: Anbu Veerappan and Vijayalakshmi K. ArumugamBackground: Earlier studies on the energetic molecule MTNPN show a small HOMO-LUMO energy gap. In general, the material which acquires small energy gap exhibits NLO response and identical counterparts in both IR and Raman spectra. Hence, the combined experimental and theoretical studies were performed to explore the fundamental properties of the molecule. Objective: The objective of this study was to explore the Read More
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Effect of Co-precursor Maliec Anhydride on the Thermal Decomposition of Acetyl Ferrocene: A Reaction Kinetic Analysis
Authors: Bratati Das and Ashis BhattacharjeeBackground: Thermal decomposition of iron-bearing organometallic complex acetyl ferrocene, (C5H4COCH3)Fe(C5H5), leads to hematite (α-Fe2O3) nanoparticles. Presence of maliec anhydride, C4H2O3 as co-precursor during thermal decomposition modifies the size of the particles as well as the quantity of the reaction product significantly. Objective: Kinetic analysis of the solid-state thermal reaction of acetyl ferrocene in the Read More
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Liquid-Liquid-Solid Equillibrium of Water + 2-propanol + Kosmotropic Salts: Construction of Phase Diagrams and Understanding of Salting-out Effects Using Volumetric and Compressibility Studies
Background: Triangular phase diagrams are important to understand the phase behaviors in ternary systems. The salting out of alcohol from water by kosmotropic salt has long been known, but the molecular interactions and the mechanism of bond breaking and making processes has not yet been fully understood. Objective: To understand the salting-out of 2-propanol from water using kosmotropic salts (Na2S2O3, Na2SO4 an Read More
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Molecular Docking of Azadirachtin in Nuclear Ecdysone Receptor
More LessBackground: The azadirachtin is a triterpenoid associated with growth inhibition in several kinds of insects which cause epidemic diseases like Dengue, Chikungunya and Malaria. Azadirachtin acts by inhibiting the Ecdysone Receptor (EcR), which is responsible from larvae phase in insects. However, the interaction between the azadirachtin molecule and the Ecdysone Receptor is unknown. In this work, we used the program Read More
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Spectroscopic Characterization and Thermo-Gravimetric Analysis of Bioactive Copper 2-Amino 6-Methyl Benzothiazole Complexes Derived from Various Oils
Authors: Anju Joram, Rashmi Sharma and Arun K. SharmaBackground: Surfactants most characteristic phenomenon of micellization in the bulk phase, as well as their ability to be accumulated at an interface are of immense theoretical, applied and biological interests as indicated by large number of publication of papers and reviews in last three decades. Particulars information about Copper (II) soaps derived from natural oils, play a vital role in its selection in specific pheno Read More
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