Author
K. Raju
Bio: K. Raju is an academic researcher from University of Kerala. The author has contributed to research in topics: Hyperpolarizability & Raman spectroscopy. The author has an hindex of 5, co-authored 7 publications receiving 95 citations.
Papers
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TL;DR: The geometrical parameters of the title compound are in agreement with the reported similar derivatives and the presence of phenyl ring modes in the SERS spectra suggests a tilted orientation with respect to the metal surface in all cases.
54 citations
TL;DR: In this article, the vibrational wavenumbers of 1H-2,2-dimethyl-3H-phenothiazin-4[10H]-one were computed using HF/6-31G(d) and B3LYP/6 -31G (d) basis.
28 citations
TL;DR: The calculated first hyperpolarizability of the title compound is comparable with the reported values of similar derivatives and is 4.23 times that of the standard nonlinear optical (NLO) material urea and the title compounds and its derivatives are an attractive object for future studies of non linear optical properties.
11 citations
TL;DR: In this paper, the amount of citric acid used for combustion is conventionally calculated based on the total valence of the oxidizing and reducing agents while keeping the equivalent ratio unity such that combustion energy is a maximum.
11 citations
TL;DR: The preliminary docking results suggest that the title compound might exhibit inhibitory activity against GPb and may act as a potential anti-diabetic compound.
10 citations
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TL;DR: In this paper, the pyrazole derivatives, (E)-4-(2-(3-chlorophenyl)hydrazono)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CPHMP) and 4-(2, 4,5-trichlorophenyl)-hydrazinyl)-2.4-Dihydron-3 H pyrazol -3 one (TCPHP) were synthesized and identified using LCMS (ESI-MS), C H N elemental and N
65 citations
TL;DR: In this article, the amine terminated polyamidoamine (PAMAM) dendrimers were investigated as potential shale stabilizers for the first time, and their inhibitive properties were characterized by a bentonite inhibition test and a shale cuttings dispersion test.
58 citations
TL;DR: In this paper, the structural and spectral characteristics of a paracetamol-oxalic acid (PRA-OXA) cocrystal have been carried out using two models (monomer and dimer), with the aim to understand the supramolecular structure and intramolescular interactions within the cocrystals.
Abstract: The study of structural and spectral characteristics of a paracetamol–oxalic acid (PRA–OXA) cocrystal has been carried out using two models (monomer and dimer), with the aim to understand the supramolecular structure and intramolecular interactions within the cocrystal. The cocrystal has been characterized by infrared and Raman spectroscopy combined with quantum chemical calculations molecular electrostatic potential surface (MEPS), frontier orbital analysis and electronic reactivity descriptors were used to understand the role of interactions involved in affecting the chemical reactivity of individual molecules in the cocrystal. It is observed that the CO, N–H and O–H groups of paracetamol are involved in hydrogen bonds to form cocrystals. NBO analysis suggests that the two types of interactions LP(1)(N8) → π*(C9–O10) and LP(2)(O10) → σ*(O25–H28) are responsible for the stability of the molecule. AIM analysis suggested that the non-covalent interactions are moderate in nature. The calculated HOMO–LUMO energies reveal that the charge transfer occurs within the cocrystal. Chemical reactivity parameters show that the cocrystal is more active than paracetamol.
54 citations
TL;DR: In this article, a comprehensive structural and vibrational study of 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-N-(3, 4,5-trimethoxyphenyl) acetamide is reported.
53 citations
TL;DR: In this paper, the effect of metal doping on the optical band gap was investigated using ultraviolet-visible spectrometry over the wavelength range of 300-1100 nm for un-doped, 2, 4 and 6% Co doped CuO thin films, respectively.
51 citations