L. Senthilkumar

发表

Hydrogen‐bonded complexes of nicotine with simple alcohols

P. Kolandaivel, Swapan K. Ghosh, T. Ghanty, 2012 .

Experimental and theoretical investigations of the kinetics and mechanism of the Cl + 4-hydroxy-4-methyl-2-pentanone reaction

A. Canosa, A. Tomas, B. Ballesteros, 2017 .

Multiwalled Carbon Nanotube Oxygen Sensor: Enhanced Oxygen Sensitivity at Room Temperature and Mechanism of Sensing.

J. K. Radhakrishnan, R. T. Rajendra Kumar, K. Rajavel, 2015, ACS applied materials & interfaces.

The influence of interfaces and intra-band transitions on the band gap of CdS/HgS and GaN/X (X=InN, In0.33Ga0.67N) core/shell/shell quantum dot quantum well – A theoretical study

L. Senthilkumar, P. Ganesan, 2015 .

Adsorption behaviour of reduced graphene oxide towards cationic and anionic dyes: Co-action of electrostatic and π – π interactions

Y. L. Jeyachandran, R. Kumar, C. R. Minitha, 2017 .

Experimental and Theoretical Studies of Trans-2-Pentenal Atmospheric Ozonolysis

A. Canosa, A. Chakir, A. Tomas, 2022, Atmosphere.

Structure and NLO properties of halogen (F, Cl) substituted formic acid dimers.

P. Kolandaivel, P. Umadevi, M. Gayathri, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Post Hartree–Fock and density functional theory studies on tautomerism of 6-thioxanthine in gas phase and in solution

P. Kolandaivel, L. Senthilkumar, 2003 .

Hydrogen-bond interactions in hydrated 6-selenoguanine tautomers: a theoretical study

M. Karthika, R. Kanakaraju, L. Senthilkumar, 2014, Structural Chemistry.

An experimental and theoretical study of the kinetics of the reaction between 3-hydroxy-3-methyl-2-butanone and OH radicals

A. Canosa, A. Chakir, A. Tomas, 2015 .

DFT study on X⁻·(H₂O)(n=1-10) (X=OH, NO₂, NO₃, CO₃) anionic water cluster.

L. Senthilkumar, M. Lalitha, 2014, Journal of molecular graphics & modelling.

Facile Hydrothermal Synthesis and First Principle Computational Studies of NiSb2O4 and Its Electrochemical Properties with Ni3(Fe(CN)6)2(H2O) for Hybrid Supercapacitors

S. Yuvaraj, R. Selvan, A. Shanmugavani, 2017 .

Spectroscopic investigations and hydrogen bond interactions of 8-aza analogues of xanthine, theophylline and caffeine: a theoretical study

M. Karthika, R. Kanakaraju, L. Senthilkumar, 2013, Journal of Molecular Modeling.

Influence of metal ions (Zn2+, Cu2+, Ca2+, Mg2+ and Na+) on the water coordinated neutral and zwitterionic L-histidine dimer

P. Umadevi, L. Senthilkumar, 2014 .

Elucidation of Binding Mechanism of Photodynamic Therapeutic Agent Toluidine Blue O with Chicken Egg White Lysozyme by Spectroscopic and Molecular Dynamics Studies

P. Umadevi, M. Ilanchelian, K. Shanmugaraj, 2017, Photochemistry and photobiology.

Effect of alkyl chain on the NLO property of nonylphenol isomers: a DFT study

N. Santhanamoorthi, P. Umadevi, V. Umadevi, 2015, Monatshefte für Chemie - Chemical Monthly.

Understanding molecular properties of halogenated cyclohexane – A DFT study

N. Santhanamoorthi, V. Umadevi, L. Senthilkumar, 2014 .

Interaction studies of cysteine with Li+, Na+, K+, Be2+, Mg2+, and Ca2+ metal cation complexes

P. Kolandaivel, R. Shankar, L. Senthilkumar, 2011 .

Hydrogen-bonded complexes of serotonin with methanol and ethanol: a DFT study

P. Kolandaivel, L. Senthilkumar, A. M. Priya, 2014, Structural Chemistry.

Theoretical investigations on the hydrogen bonding of nitrile isomers with H2O, HF, NH3 and H2S

P. Kolandaivel, V. Umadevi, L. Senthilkumar, 2013 .

Hydrogen bonding in substituted formic acid dimers.

P. Kolandaivel, Swapan K. Ghosh, T. Ghanty, 2006, The journal of physical chemistry. A.

DFT study on the tautomerism of organic linker 1H- Imidazole-4,5-Tetrazole (HIT)

V. Umadevi, L. Senthilkumar, A. M. Priya, 2015 .

Density functional theory investigation of cocaine water complexes

P. Kolandaivel, P. Umadevi, L. Senthilkumar, 2013, Journal of Molecular Modeling.

Theoretical studies on hydrogen bonding in caffeine–theophylline complexes

M. Karthika, R. Kanakaraju, L. Senthilkumar, 2012 .

Interaction between arginine conformers and Hofmeister halide anions

P. Umadevi, L. Senthilkumar, 2016 .

Photoactive amorphous molecular materials based on bisquinoline diamines and their synthesis by Friedländer condensation reaction

P. Bhowmik, P. Umadevi, J. Koh, 2014 .

Metal-interacted histidine dimer: an ETS-NOCV and XANES study

P. Umadevi, L. Senthilkumar, 2016 .

The study of performance of DFT functional for van der Waals interactions

P. Kolandaivel, D. Maheswari, L. Senthilkumar, 2013 .

Degradation of methyl salicylate through Cl initiated atmospheric oxidation – a theoretical study

L. Senthilkumar, A. M. Priya, 2014 .

Encapsulation of fluoroethanols in pristine and Stone–Wales defect boron nitride nanotube – A DFT study

P. Umadevi, T. Aiswarya, L. Senthilkumar, 2015 .

Reaction of OH radical and ozone with methyl salicylate – a DFT study

L. Senthilkumar, A. M. Priya, 2015 .

Study on the I–V characteristics of quantum well/dot embedded GaAs/AlGaAs structures - A transfer matrix method

K. Vanitha, L. Senthilkumar, P. Ganesan, 2015 .

Importance of hydrogen bonding for second harmonic generation effect : X-ray diffraction and DFT study on S-benzyl isothiouronium chloride

D. Velmurugan, P. Hemalatha, D. Mangalaraj, 2009 .

Theoretical investigations on hydrated 6,8-dithioguanine tautomers

M. Karthika, R. Kanakaraju, L. Senthilkumar, 2012, Structural Chemistry.

Addition and abstraction reaction mechanism of 2,4,5-trimethylphenol with OH radical – A first principle study

L. Senthilkumar, Basheer Aazaad, A. M. Priya, 2016 .

Molecular interaction study of formohydroxamic acid (FHA) with water

P. Kolandaivel, L. Senthilkumar, 2006 .

Study of effective hardness and condensed Fukui functions using AIM, ab initio, and DFT methods

P. Kolandaivel, L. Senthilkumar, 2005 .

Electron density and energy decomposition analysis in hydrogen-bonded complexes of azabenzenes with water, acetamide, and thioacetamide.

Swapan K. Ghosh, T. Ghanty, L. Senthilkumar, 2005, The journal of physical chemistry. A.