Search Results - "G., Naresh"

Probing the Role of Solvent Configurations and Local Electric Fields on HX (X = F, Cl, Br and I) Dissociation in Water Clusters by Pathak, Bijaya, Boda, Manjusha, Patwari, G. Naresh

“…The acidity of hydrohalic acids increases down the group, with HF and HI being the weakest and strongest acids. Electronic structure calculations suggest that…”
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Molecular Association and Reactivity of the Pyridine Dimer Cation by Tagad, Amol, Patwari, G. Naresh

“…A recent experimental report has identified the formation of the C–N hemibonded pyridine dimer cation following vacuum ultraviolet near-threshold…”
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Impact study on continuous overcharging of precycled lithium batteries and control algorithm development using machine learning approach by G, Naresh, Thangavelu, Praveenkumar

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Enticing a Proton using Single Ammonia Molecule as Bait by Pathak, Bijaya, Kesari, Shaivi, Patwari, G. Naresh

“…In microhydrated acid-solvent clusters, deprotonation of an acid is assisted by a critical number of solvent molecules and a solvent electric field…”
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Photodegradation of Flutamide and Halogen Derivatives of Nitrobenzotrifluoride: The NO Release Channel by Bejoy, Namitha Brijit, Patwari, G. Naresh

“…The photodegradation of the nonsteroidal antiandrogen drug flutamide has been long linked to the photoisomerization involving the nitro group. In this work,…”
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Unraveling the Significance of Mg2+ Dependency and Nucleotide Binding Specificity of H‑RAS by Tagad, Amol, Patwari, G. Naresh

“…RAS is a small GTPase and acts as a binary molecular switch; the transition from its active to inactive state plays a crucial role in various cell signaling…”
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Unraveling the Significance of Mg 2+ Dependency and Nucleotide Binding Specificity of H-RAS by Tagad, Amol, Patwari, G Naresh

“…RAS is a small GTPase and acts as a binary molecular switch; the transition from its active to inactive state plays a crucial role in various cell signaling…”
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Integrating machine learning for health prediction and control in over-discharged Li-NMC battery systems by Naresh, G, Thangavelu, Praveenkumar

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Dissociation of Endohedrally Encapsulated HCl/HBr in C60 and C70: An Electric Field Perspective by Singh, Reman Kumar, Patwari, G. Naresh

“…The ability of an acid to undergo dissociation depends primarily on the nature of the solvent and especially the arrangement of the solvent molecules around…”
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Dissociation of Endohedrally Encapsulated HCl/HBr in C 60 and C 70 : An Electric Field Perspective by Singh, Reman Kumar, Patwari, G Naresh

“…The ability of an acid to undergo dissociation depends primarily on the nature of the solvent and especially the arrangement of the solvent molecules around…”
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Improved H2 yields over Cu-Ni-TiO2 under solar light irradiation: Behaviour of alloy nano particles on photocatalytic H2O splitting by Kumar, M Kotesh, Naresh, G, Kumar, V Vijay, Vasista, B Sai, Sasikumar, B, Venugopal, A

“…[Display omitted] •In-situ surface photo reduction of surface active sites estimated by combined H2 and N2O titration.•Synergetic interaction of Ni and Cu led…”
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Colonization by multi-potential Pseudomonas aeruginosa P4 stimulates peanut (Arachis hypogaea L.) growth, defence physiology and root system functioning to benefit the root-rhizobacterial interface by Gupta, Vaishnawi, Kumar, G. Naresh, Buch, Aditi

“…The beneficial associations between Arachis hypogaea L. (peanut) and fluorescent Pseudomonas species have been poorly explored despite their predominance in…”
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Plasmonic resonance nature of Ag-Cu/TiO2 photocatalyst under solar and artificial light: Synthesis, characterization and evaluation of H2O splitting activity by M., Kotesh Kumar, K., Bhavani, G., Naresh, B., Srinivas, A., Venugopal

“…[Display omitted] •Plasmonic resonance behaviour of Ag-Cu alloy afforded higher H2 yields.•H2-TPR emphasized a strong interaction between Ag and Cu due to…”
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Pharmaceutical applications of various natural gums, mucilages and their modified forms by Prajapati, Vipul D., Jani, Girish K., Moradiya, Naresh G., Randeria, Narayan P.

“…► Various naturally available gums and mucilages are classified in different ways. ► More than 80 natural sources of gums and 50 mucilages sources are…”
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Machine Learned Potential Enables Molecular Dynamics Simulation to Predict the Experimental Branching Ratios in the NO Release Channel of Nitroaromatic Compounds by Sharma, Pooja, Chowdhury, Prahlad Roy, Jain, Amber, Patwari, G. Naresh

“…This study employs a machine learning (ML) model using the Gaussian process regression algorithm to generate potential energy surfaces (PES) from density…”
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Vapor phase hydrogenation of aqueous levulinic acid over hydroxyapatite supported metal (M=Pd, Pt, Ru, Cu, Ni) catalysts by Sudhakar, M., Kumar, V. Vijay, Naresh, G., Kantam, M. Lakshmi, Bhargava, S.K., Venugopal, A.

“…[Display omitted] •Ca5(PO4)3(OH) a suitable support for Ru in hydrogenation of aqueous levulinic acid•Enhanced gamma-valerolactone yields with H2O as…”
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Dipole Moment Propels π‑Stacking of Heterodimers of Fluorophenylacetylenes by Kundu, Aniket, Sen, Saumik, Patwari, G. Naresh

“…Electronic and vibrational spectroscopic investigations in combination with quantum chemical calculations were carried out to probe the formation of four sets…”
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Bend-to-Break: Curvilinear Proton Transfer in Phenol-Ammonia Clusters by Sadhukhan, Debopriya, Hazra, Anirban, Patwari, G. Naresh

“…The electric field experienced by the OH group of phenol embedded in the cluster of ammonia molecules depends on the relative orientation of the ammonia…”
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Influence of working capital efficiency on firm’s composite financial performance: evidence from India by Kumar, Shiv Shankar, Sawarni, Kumar Sanjay, Roy, Subrata, G, Naresh

“…PurposeThe objective of this paper is to investigate the effect of working capital efficiency (WCE) and its components on the composite financial performance…”
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Modulating the Roaming Dynamics for the NO Release in ortho-Nitrobenzenes by Bejoy, Namitha Brijit, Roy Chowdhury, Prahlad, Patwari, G. Naresh

“…The dynamics of NO release upon photodissociation of nitroaromatic compounds is dependent on the nature of the interaction between the NO2 group and…”
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