Publications by authors named "Senthilkumar Lakshmipathi"

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E
Electrochemical CO reduction to methanol over Ni@TiCN MXene: a first-principles DFT study.
Karthiga Manivannan, Senthilkumar Lakshmipathi

Phys Chem Chem Phys· December 2025

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Screening of Transition Metal (Sc to Zn) Decorated MoC MXenes as a Catalyst Under Ambient Conditions for N to NH Electrocatalysis Using First Principles Method.
Nandhini Panjulingam, Senthilkumar Lakshmipathi

Chemphyschem· November 2025

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Aminothiophenol and 7-diethylamino-4-hydroxycoumarin derived probe for reversible turn off-on-off detection of Cu ions and cysteine.
Kuppusamy Suganthirani, Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi, Jan Grzegorz Malecki, Balasubramanian Murugesapandian

Spectrochim Acta A Mol Biomol Spectrosc· February 2025

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2D Co-anti-MXenes (CoB/CoP) as promising anode materials for magnesium-ion batteries in diglyme and triglyme electrolytes: a first-principles study.
Nandhini Panjulingam, Senthilkumar Lakshmipathi

Phys Chem Chem Phys· January 2025

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Pyridine appended pyrimidine bis hydrazone: Zn/ATP detection, bioimaging and functional properties of its dinuclear Zn(II) complex.
Ottoor Anitha, Sandipan Ghorai, Thangaraj Thiruppathiraja, Humayun Amir, Abinayaselvi Murugan, Senthilkumar Lakshmipathi

Talanta· June 2024

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Diethylaminophenol appended pyrimidine bis hydrazone for the sequential detection of Al and PPi ions.
Ottoor Anitha, Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi, Balasubramanian Murugesapandian

Spectrochim Acta A Mol Biomol Spectrosc· December 2023

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Intramolecular interactions (O-H∙∙∙O, C-H∙∙∙N, N-H∙∙∙π) in isomers of neutral, cation, and anion dopamine molecules: A DFT study on the influence of solvents (water and ethanol).
Thekkayil Sangeetha, Senthilkumar Lakshmipathi

J Mol Model· February 2023

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Green synthesis of benzimidazole derivatives by using zinc boron nitride catalyst and their application from DFT (B3LYP) study.
Sureshkumar Mahalingam, Arul Murugesan, Thangaraj Thiruppathiraja, Senthilkumar Lakshmipathi, Talent Raymond Makhanya

Heliyon· November 2022

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Cation-Anion Interactions, Stability, and IR Spectra of Dicationic Amino Acid-Based Ionic Liquids Probed Using Density Functional Theory.
Muraledharan Shyama, Senthilkumar Lakshmipathi

J Mol Model· May 2021

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Gas adsorption efficacy of graphene sheets functionalised with carboxyl, hydroxyl and epoxy groups in conjunction with Stone-Thrower-Wales (STW) and inverse Stone-Thrower-Wales (ISTW) defects.
Murugan Lalitha, Senthilkumar Lakshmipathi

Phys Chem Chem Phys· November 2017

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Molecular properties of metal difluorides and their interactions with CO and HO molecules: a DFT investigation.
Agnes Lincy Arokiyanathan, Senthilkumar Lakshmipathi

J Mol Model· November 2017

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Elucidation of Binding Mechanism of Photodynamic Therapeutic Agent Toluidine Blue O with Chicken Egg White Lysozyme by Spectroscopic and Molecular Dynamics Studies.
Krishnamoorthy Shanmugaraj, Palanivel Umadevi, Lakshmipathi Senthilkumar, Malaichamy Ilanchelian

Photochem Photobiol· July 2017

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Hydrogen bonds in Zif268 proteins - a theoretical perspective.
Umadevi Palanivel, Senthilkumar Lakshmipathi

J Biomol Struct Dyn· August 2016

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Multiwalled Carbon Nanotube Oxygen Sensor: Enhanced Oxygen Sensitivity at Room Temperature and Mechanism of Sensing.
Krishnamoorthy Rajavel, Murugan Lalitha, Joghee Kullan Radhakrishnan, Lakshmipathi Senthilkumar, Ramasamy Thangavelu Rajendra Kumar

ACS Appl Mater Interfaces· November 2015

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Density functional theory investigation of cocaine water complexes.
Lakshmipathi Senthilkumar, Palanivel Umadevi, Kumaranathapuram Natarajan Sweety Nithya, Ponmalai Kolandaivel

J Mol Model· August 2013

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Spectroscopic investigations and hydrogen bond interactions of 8-aza analogues of xanthine, theophylline and caffeine: a theoretical study.
Mylsamy Karthika, Ramasamy Kanakaraju, Lakshmipathi Senthilkumar

J Mol Model· April 2013

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