All Stories

  1. Enhanced nonlinear optical characteristics of triarylmethane dye in various solvents using Z-scan and DFT method

    Article • Optics & Laser Technology, May 2026, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  2. Twelve tips for identifying and avoiding predatory journals

    Article • Medical Teacher, April 2026, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  3. Exploring the nonlinear optical features of organic dye using Z-scan and DFT method

    Article • Spectroscopy Letters, April 2026, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  4. Ultrasound-Assisted Amberlyst® A21 Catalyzed One-Pot Synthesis of Pyrazolo[1,2-b]phthalazine Derivatives: Spectroscopic Characterization, DFT Insights, Molecular Docking and Cytotoxic Evaluation

    Article • Journal of Molecular Structure, April 2026, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  5. Synthesis and biological evaluation of Cu(II) Aroyl-Hydrazone Schiff Base complexes with anticancer activity against breast cancer cells

    Article • Journal of Inorganic Biochemistry, March 2026, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  6. Solvent effect and nonlinear optical properties of Alizarin red S dye using Z-scan and DFT method

    Article • Applied Physics A, February 2026, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  7. Tuning optoelectronic and NLO properties of naphthalimide-phenothiazine dyes using cyano groups – a computational study

    Article • Structural Chemistry, January 2026, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  8. Missed marks: understanding the disconnect of research methodology courses in combating predatory publishing

    Article • Research Evaluation, January 2026, Oxford University Press (OUP)

    Dr. VIJAY SOLOMON RAJADURAI

  9. UGC-CARE delisted: consequences and concerns for Indian research ecosystem

    Article • Research Evaluation, January 2026, Oxford University Press (OUP)

    Dr. VIJAY SOLOMON RAJADURAI

  10. Indigo-functionalized BODIPY, aza-BODIPY, and BOPHY systems for CYP17A1-targeted NIR bioimaging in prostate cancer

    Article • New Journal of Chemistry, January 2026, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  11. Computational investigation of carboxyl-functionalized hydrogen-substituted graphdiyne for tracing and trapping nitrogen and its oxides

    Article • Physical Chemistry Chemical Physics, January 2026, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  12. Polar protic and aprotic solvents induced nonlinear optical and optical limiting properties of Xanthene dye: A DFT Study

    Article • Chemical Physics Impact, December 2025, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  13. Self-Combustion Glycine Nitrate Process Prepared CuAlO2 Nanopowder Catalyst Applied into the Carbendazim Electrochemical Assessment and Computational Prediction

    Article • Langmuir, October 2025, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  14. Hydroxyl Functionalized Hydrogen‐Substituted Graphdiyne for Tracing and Trapping of Nitrogen and its Oxides: A First‐Principles Study

    Article • Advanced Theory and Simulations, September 2025, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  15. Mechanistic Study of β‐Glucogallin Extracted from Amla: DFT, Docking, and Molecular Dynamics Simulations

    Article • Advanced Theory and Simulations, July 2025, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  16. Design and Characterization of a Chitosan-Based Nanohybrid Fertilizer: Molecular Insights and Nutrient Release Kinetics

    Article • Journal of Inorganic and Organometallic Polymers and Materials, May 2025, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  17. Synthesis, structural analysis, and antimicrobial properties of (E)-2-((4-fluorobenzylidene) amino) phenol: A combined experimental and computational study

    Article • Journal of the Indian Chemical Society, May 2025, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  18. Debunking Titration Endpoint Myths: Insights From Project-Based Learning

    Article • Resonance, April 2025, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  19. Shifting the Selectivity of Perethylated Pillar[5]arene through Functionalization toward the Separation of Isomers of Ethyltoluene – A DFT and Molecular Dynamics Study

    Article • Advanced Theory and Simulations, April 2025, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  20. Nonlinear Optical Features of Phenol Red Dye in Different Solvent Media Using Z-scan and Density Functional Theory

    Article • Journal of Fluorescence, March 2025, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  21. Observation of Fascinating Nonlinear Optical Features of Fluorescent Dye in Selected Polar Solvents by Z-Scan and DFT Method

    Article • Journal of Fluorescence, February 2025, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  22. Eco-friendly nano colloids for enhanced black gram (Vigna mungo) seed viability: experimental and computational analysis

    Article • BMC Plant Biology, February 2025, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  23. DFT and Z-scan Studies for the Determination of Nonlinear Optical Susceptibility and Second Order Hyperpolarizability of Ethidium Bromide Dye in Different Solvents

    Article • Journal of Fluorescence, February 2025, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  24. Tuning the BOAPY derivatives for enhancing the NLO properties using flanking groups – A DFT & TD-DFT study

    Article • Computational and Theoretical Chemistry, February 2025, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  25. Capturing and Sensing the Toxic Volatile Pollutants SO2, NO2, and O3 From Fireworks Using Modified Graphene Oxide – Insights from First Principle Calculations

    Article • Advanced Theory and Simulations, January 2025, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  26. Recent advances in lanthanide-based metal–organic frameworks for photocatalytic hydrogen evolution applications

    Article • Energy Advances, January 2025, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  27. Optimizing Nickel Complex With Thiosemicarbazone for Viral (SARS‐CoV‐2) Applications and Cancer Therapy: Synthesis, DFT Calculations, Molecular Docking, Molecular Dynamics Simulations, and Anticancer Activity

    Article • Applied Organometallic Chemistry, January 2025, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  28. The cost of deception: pseudo-journals and exploitative article processing charges

    Article • Research Evaluation, December 2024, Oxford University Press (OUP)

    Dr. VIJAY SOLOMON RAJADURAI

  29. Competitive role of aryldiazonium cation and aryldiazene radical in PdIV catalysed C–C coupling reactions: DFT insights

    Article • Journal of Chemical Sciences, October 2024, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  30. Molecular docking and controlled release of NPK nanocomposites using mesoporous nanosilica synthesized from rice husk

    Article • Biomass Conversion and Biorefinery, October 2024, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  31. Unravelling the Optoelectronic and Biological Properties of Phenanthroimidazo [1,2‐c] Quinazoline‐Based Donor‐Acceptor Materials

    Article • Asian Journal of Organic Chemistry, September 2024, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  32. Computational catalysis on the conversion of CO2 to methane—an update

    Article • Frontiers of Chemical Science and Engineering, July 2024, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  33. Molecular docking of nano Zn capped by rhamnolipids

    Article • Physica Scripta, June 2024, Institute of Physics Publishing

    Dr. VIJAY SOLOMON RAJADURAI

  34. Computational Insights into the Fusion of Thiophene to Aza BODIPY Based Molecules for Better Organic Solar Cell Applications

    Article • Chemical Physics Impact, June 2024, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  35. Unveiling the Computational Insights into Na‐Decorated Hydrogen‐Substituted Graphdiyne for Efficient Tracing and Trapping of Nitrogen and its Oxides

    Article • Materials Today Communications, June 2024, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  36. Theoretical Insights into the Structural and Optical Properties of D−π–A-based Cyanostilbene Systems of α and β Variants

    Article • ACS Omega, May 2024, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  37. Exploring electron donor and acceptor effects: DFT analysis of ESIPT/GSIPT in 2-(oxazolinyl)-phenols for photophysical and luminophore enhancement

    Article • The Journal of Chemical Physics, May 2024, American Institute of Physics

    Dr. VIJAY SOLOMON RAJADURAI

  38. Rational Design of Selenophene‐infused BODIPY Molecules as Fluorogenic Probes for Lung Tumor Imaging – A Computational Approach

    Article • ChemistrySelect, February 2024, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  39. Computational Tools and Techniques in Designing Ligands for the Selective Separation of Actinide and Lanthanide: A Review

    Article • Comments on Inorganic Chemistry, January 2024, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  40. A theoretical study on radical scavenging activity of phenolic derivatives naturally found within Alternaria alternata extract

    Article • Organic & Biomolecular Chemistry, January 2024, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  41. Capturing and Sensing the Toxic Volatile Pollutants So2, No2 and O3 from Firecrackers Using Modified Graphene Oxide - Insights from First Principle Calculations

    Article • January 2024, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  42. Computational exploration of the structure-photophysical property relationship of 2,6-dicyanoaniline derivatives for optoelectronic applications

    Article • Journal of Molecular Structure, January 2024, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  43. Conjugation-modulated optoelectronic and anti-corrosion properties of pyrrole oligomer: Insights from DFT/TD-DFT analysis

    Article • Journal of Molecular Structure, January 2024, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  44. Designing novel inhibitor derivatives targeting SARS-CoV-2 Mpro enzyme: a deep learning and structure biology approach

    Article • Molecular Systems Design & Engineering, January 2024, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  45. Unravelling the sensing efficacy of graphene oxide towards hazardous volatile organic compounds in the polyurethane industry

    Article • New Journal of Chemistry, January 2024, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  46. Breaking free from academic scams: Five key reflections on the cloned journal conundrum

    Article • Learned Publishing, December 2023, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  47. Explorations on the synthesis, structure, DFT, DNA binding properties and molecular docking of tridentate Schiff base Copper (II) complexes

    Article • Chemical Physics Impact, December 2023, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  48. Deciphering the structure-property relationship and antioxidant mechanisms of Trehalose – An in-silico approach

    Article • Journal of Molecular Structure, November 2023, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  49. Trianglimine‐Mediated Selective Sieving of Cis Isomer from the Mixture of Dihaloethenes: A Combined Molecular Dynamics and DFT Investigation

    Article • ChemPhysChem, October 2023, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  50. 16 Exploring the solvation of water molecules around radioactive elements in nuclear waste water treatment

    Article • October 2023, De Gruyter

    Dr. VIJAY SOLOMON RAJADURAI

  51. Spectroscopic and theoretical approach of DNA interaction and anticancer studies of bio-pharmaceutically active pyrimidine derived Cu(II) and Zn(II) complexes

    Article • International Journal of Biological Macromolecules, September 2023, Elsevier

    Dr Murugesan Sankarganesh, Dr. VIJAY SOLOMON RAJADURAI

  52. Highly Selective Turn-on Fluorescence Sensor for Cd2+ Ions by Tripodal Organic Ligand

    Article • Journal of Fluorescence, July 2023, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  53. Role of sulphur and oxygen in phosphine ligands in the extraction process of Am3+ over Eu3+ ions in water medium – A theoretical study

    Article • Journal of Molecular Liquids, July 2023, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  54. Particle on a ring model for polyacenes

    Article • Computational and Theoretical Chemistry, July 2023, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  55. Synergistic enhancement of corrosion protection of carbon steels using corrosion inhibitors and biocides: Molecular adsorption studies, DFT calculations and long-term corrosion performance evaluation

    Article • Journal of Environmental Chemical Engineering, June 2023, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  56. Computational Insights and Virtual Screening of Repurposed FDA-Approved Drug Against SARS-CoV-2 Protease

    Article • Iranian Journal of Science, May 2023, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  57. Exploring the solvation of water molecules around radioactive elements in nuclear waste water treatment

    Article • Physical Sciences Reviews, March 2023, De Gruyter

    Dr. VIJAY SOLOMON RAJADURAI

  58. Computational assessment of amino acid-coupled benzanthrone 2-aminoacetamides as molecular probes for insulin amyloid fibril visualization

    Article • New Journal of Chemistry, January 2023, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  59. Environmentally friendly synthesis and computational studies of novel class of acridinedione integrated spirothiopyrrolizidines/indolizidines

    Article • Green Processing and Synthesis, January 2023, De Gruyter

    Dr. VIJAY SOLOMON RAJADURAI

  60. Do mono- or diphenol substitutions in phenanthroline-based ligands serve in effective separation of Am3+/Eu3+ ions?- Insights from DFT calculations

    Article • Separation Science and Technology, December 2022, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  61. Complexation of N‐Heterocyclic Substituted 1,10‐Phenanthroline‐2,9‐diamide with Am 3+ /Eu 3+ Ions for Nuclear Waste Water Treatment

    Article • ChemistrySelect, December 2022, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  62. Insight into designing of 2-pyridone derivatives for COVID-19 drug discovery - A computational study

    Article • Structural Chemistry, October 2022, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  63. Fostering research culture through virtual community learning towards academic development

    Article • The International Journal for Academic Development, October 2022, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  64. Exploring the optical properties of novel pyridazin-3(2H)-one derivatives - A combined experimental and computational study

    Article • Chemical Data Collections, October 2022, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  65. Role of Cl• • •Cl halogen bonds in tuning the crystals of Uranyl-Dicholorothiophene carboxylate based hybrid cluster materials through N-donor counter ions

    Article • Journal of Molecular Structure, October 2022, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  66. Hydrogen-Bond-Assisted Adsorption of Nitric Oxide on Various Metal-Loaded ZSM-5 Zeolites

    Article • Langmuir, August 2022, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  67. Selective complexation of trivalent americium over europium with substituted Triazolebipyridine-based ligand in high Level-Liquid Waste- A DFT Investigation

    Article • Polyhedron, July 2022, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  68. Halogen-Based 17β-HSD1 Inhibitors: Insights from DFT, Docking, and Molecular Dynamics Simulation Studies

    Article • Molecules, June 2022, MDPI AG

    NAGENDRAN THARMALINGAM, Dr. VIJAY SOLOMON RAJADURAI

  69. Uptake of Am(III) Ions and Eu(III) Ions Using Cyclic Substituted N, O‐hybrid 1,10‐Phenanthroline Derived Phosphine Oxide Ligands ‐ A DFT Exploration

    Article • ChemistrySelect, May 2022, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  70. Service Learning Science Camps Among Tribals as a Tool for Capacity Building Among Students – A Step Toward Inclusive Chemistry Education

    Article • Journal of Chemical Education, March 2022, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  71. Do nitrate ions preferentially bind to Ln/An ion in nuclear waste treatment? – Answers from DFT calculations

    Article • Polyhedron, March 2022, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  72. Does Virtual Titration Experiment Meet Students’ Expectation? Inside Out from Indian Context

    Article • Journal of Chemical Education, February 2022, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  73. Designing bifunctional phenanthroimidazole chromophores for highly selective ratiometric chemosensing of Cu2+/F− and Co2+/F− ions in organic solvents

    Article • Journal of Photochemistry and Photobiology A Chemistry, January 2022, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  74. A two-step MM and QM/MM approach to model AIEE of aryloxy benzothiadiazole derivatives for optoelectronic applications

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  75. Copper (Ii) Complexes Containing Tridentate Schiff Bases: Investigations on Synthesis, Crystal Structure, Dft, Molecular Docking and DNA Binding

    Article • SSRN Electronic Journal, January 2022, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  76. Hydroxyapatite as a bifunctional nanocatalyst for solventless Henry reaction: a demonstration of morphology-dependent catalysis

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  77. Preorganization of N,O-hybrid phosphine oxide chelators for effective extraction of trivalent Am/Eu ions – a computational study

    Article • New Journal of Chemistry, January 2022, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  78. UV-A and UV-B banning highly soluble photocrosslinkable thermotropic liquid crystalline copolyesters with ether linkage in the backbone

    Article • Materials Today Proceedings, January 2022, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  79. Why trans and not cis? – Molecular dynamics and DFT study on selective separation of dihaloethene isomers using perethylated pillar[5]arene

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  80. Does the length of the alkyl chain affect the complexation and selectivity of phenanthroline-derived phosphonate ligands? – Answers from DFT calculations

    Article • Polyhedron, December 2021, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  81. Synthesis, crystallography, DFT, MTT assay, and molecular docking studies of an exocyclic double-bonded crystalline chalcone

    Article • Chemical Data Collections, December 2021, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  82. Impact of Coordination Modes of N‐Donor Ligands on Am(III)/Eu(III) Separation in Nuclear Waste Water Treatment – A DFT Study

    Article • ChemistrySelect, November 2021, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  83. Quantum mechanical study on complexation phenomenon of pillar[5]arene towards neutral dicyanobutane

    Article • Supramolecular Chemistry, November 2021, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  84. Tuning the structure of disulfonated phenanthroline based ligands for effective separation of Am(III)/Eu(III) ions : A DFT investigation

    Article • Journal of Molecular Liquids, October 2021, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  85. Theoretical evaluation of mixed N-, O- donor based TMPhenDA ligand in selective complexation with actinide (III) ions over lanthanide (III) ions

    Article • Journal of Molecular Liquids, June 2021, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  86. Bioactive platinum complex of ligand bearing pyrimidine skeleton: DNA/BSA binding, molecular docking, anticancer, antioxidant and antimicrobial activities

    Article • Journal of Biomolecular Structure and Dynamics, February 2021, Taylor & Francis

    Dr Murugesan Sankarganesh, Dr. VIJAY SOLOMON RAJADURAI

  87. Novel metal(II) complexes with pyrimidine derivative ligand: synthesis, multi-spectroscopic, DNA binding/cleavage, molecular docking with DNA/BSA, and antimicrobial studies

    Article • Monatshefte für Chemie - Chemical Monthly, February 2021, Springer Science + Business Media

    Dr Murugesan Sankarganesh, Dr. VIJAY SOLOMON RAJADURAI

  88. Tailoring the selectivity of phenanthroline derivatives for the partitioning of trivalent Am/Eu ions – a relativistic DFT study

    Article • Inorganic Chemistry Frontiers, January 2021, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  89. Piperazine-substituted derivatives of favipiravir for Nipah virus inhibition: What do in silico studies unravel?

    Article • SN Applied Sciences, January 2021, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  90. Surface structure sensitivity of hydrodeoxygenation of biomass-derived organic acids over palladium catalysts: a microkinetic modeling approach

    Article • Catalysis Science & Technology, January 2021, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  91. Insights into the Extraction of Actinides from Lanthanides Using 3,3’‐Dimethoxy‐phenyl‐bis‐1,2,4‐triazinyl‐2,6‐pyridine Ligand – A DFT Study

    Article • ChemistrySelect, November 2020, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  92. Crystal structure, chemical nuclease activity, and VHPO mimicking potential of oxovanadium(IV) complexes—A combined experimental and computational study

    Article • Applied Organometallic Chemistry, November 2020, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  93. Investigation of the reaction mechanism of the hydrodeoxygenation of propionic acid over a Rh(1 1 1) surface: A first principles study

    Article • Journal of Catalysis, November 2020, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  94. Theoretical Investigation of Solvent Effects on the Hydrodeoxygenation of Propionic Acid over a Ni(111) Catalyst Model

    Article • The Journal of Physical Chemistry C, July 2020, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  95. Platinum complex with pyrimidine- and morpholine-based ligand: synthesis, spectroscopic, DFT, TDDFT, catalytic reduction, in vitro anticancer, antioxidant, antimicrobial, DNA binding and molecular modeling studies

    Article • Journal of Biomolecular Structure and Dynamics, February 2020, Taylor & Francis

    Dr Murugesan Sankarganesh, Dr. VIJAY SOLOMON RAJADURAI

  96. Unraveling the mechanism of the hydrodeoxygenation of propionic acid over a Pt (1 1 1) surface in vapor and liquid phases

    Article • Journal of Catalysis, January 2020, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  97. Prediction of Transition-State Energies of Hydrodeoxygenation Reactions on Transition-Metal Surfaces Based on Machine Learning

    Article • The Journal of Physical Chemistry C, November 2019, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  98. Gold(III) complex from pyrimidine and morpholine analogue Schiff base ligand: Synthesis, characterization, DFT, TDDFT, catalytic, anticancer, molecular modeling with DNA and BSA and DNA binding studies

    Article • Journal of Molecular Liquids, November 2019, Elsevier

    Dr Murugesan Sankarganesh, Dr. VIJAY SOLOMON RAJADURAI

  99. Nano-inclusion aided thermal conductivity enhancement in palmitic acid/di-methyl formamide phase change material for latent heat thermal energy storage

    Article • Thermochimica Acta, August 2019, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  100. Impacts of hydrophobicity and ionicity of phendione-based cobalt(II)/(III) complexes on binding with bovine serum albumin

    Article • Journal of Biomolecular Structure and Dynamics, May 2019, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  101. Are vinyl coupled furan derivatives better than vinyl coupled thiophene derivatives for optoelectronic applications? – Answers from DFT/TDDFT calculations

    Article • Computational Materials Science, May 2019, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  102. DFT-TDDFT framework of diphenylamine based mixed valence compounds for optoelectronic applications – Structural modification of π-acceptors

    Article • Computational Materials Science, May 2019, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  103. Enhanced luminescence efficiency of structurally tailored new coumarin-based heterocyclic organic materials: a DFT/TD-DFT study

    Article • Theoretical Chemistry Accounts, April 2019, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  104. Noncovalent Interactions in Biocatalysis – A Theoretical Perspective

    Article • March 2019, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  105. Biomolecular Interaction, Anti-Cancer and Anti-Angiogenic Properties of Cobalt(III) Schiff Base Complexes

    Article • Scientific Reports, February 2019, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  106. Spectro-electrochemical assessments of DNA/BSA interactions, cytotoxicity, radical scavenging and pharmacological implications of biosensitive and biologically active morpholine-based metal(ii) complexes: a combined experimental and computat...

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Dr Jeyaraj Dhaveeethu Raja, Dr. VIJAY SOLOMON RAJADURAI

  107. New bio-sensitive and biologically active single crystal of pyrimidine scaffold ligand and its gold and platinum complexes: DFT, antimicrobial, antioxidant, DNA interaction, molecular docking with DNA/BSA and anticancer studies

    Article • Bioorganic Chemistry, December 2018, Elsevier

    Dr Murugesan Sankarganesh, Dr. VIJAY SOLOMON RAJADURAI

  108. Evaluation of the Leaf Essential Oil from Artemisia vulgaris and Its Larvicidal and Repellent Activity against Dengue Fever Vector Aedes aegypti—An Experimental and Molecular Docking Investigation

    Article • ACS Omega, November 2018, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  109. Stability and rheological properties of hybrid γ-Al2O3 nanofluids with cationic polyelectrolyte additives

    Article • Colloids and Surfaces A Physicochemical and Engineering Aspects, October 2018, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  110. Density Functional Theory Molecular Modelling, DNA interactions, Antioxidant, Antimicrobial, Anticancer and Biothermodynamic Studies of Bioactive Water Soluble Mixed Ligand Complexes

    Article • Journal of Biomolecular Structure and Dynamics, July 2018, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI, karunganathan sakthikumar, Dr Jeyaraj Dhaveeethu Raja, Dr Murugesan Sankarganesh

  111. Are cucurbiturils better drug carriers for bent metallocenes? Insights from theory

    Article • JBIC Journal of Biological Inorganic Chemistry, March 2018, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  112. A multispectroscopic and molecular docking investigation of the binding interaction between serum albumins and acid orange dye

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, March 2018, Elsevier

    Prof. Dr. Abdullah M. Asiri, Dr Anandan sambandam, Dr. VIJAY SOLOMON RAJADURAI

  113. l -arginine directed and ultrasonically aided growth of nanocrystalline hydroxyapatite particles with tunable morphology

    Article • Colloids and Surfaces A Physicochemical and Engineering Aspects, February 2018, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  114. Computational Unravelling of the Role of Alkyl Groups on the Host-Guest Complexation of Pillar[5]arenes with Neutral Dihalobutanes

    Article • ChemistrySelect, January 2018, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  115. Encapsulation of a hexaaza macrocyclic nickel(ii) complex in zeolite Y: an experimental and theoretical investigation

    Article • New Journal of Chemistry, January 2017, Royal Society of Chemistry

    chandra mohan s, Dr. VIJAY SOLOMON RAJADURAI

  116. The role of π-linkers in tuning the optoelectronic properties of triphenylamine derivatives for solar cell applications – A DFT/TDDFT study

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  117. A Spectroscopic Approach with Theoretical Studies to Study the Interaction of 9-aminoacridine with Certain Phenols

    Article • Zeitschrift für Physikalische Chemie, October 2016, De Gruyter

    Dr. VIJAY SOLOMON RAJADURAI

  118. Inner-Shell Water Rearrangement Following Photoexcitation of Tris(2,2′-bipyridine)iron(II)

    Article • The Journal of Physical Chemistry B, January 2016, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  119. Synthesis, DNA binding and docking studies of copper(II) complexes containing modified phenanthroline ligands

    Article • Journal of Coordination Chemistry, March 2015, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  120. Ultrasonic, spectrophotometric and theoretical studies of sigma and PI interactions of iodine with substituted benzene

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr JACCOB MADHAVAN, Dr Mahesh Sundararajan, Dr. VIJAY SOLOMON RAJADURAI

  121. How far thiophene origomers can be tuned to show better optoelectronic applications?

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  122. The nature of hydrogen bonding inR22(8) crystal motifs – a computational exploration

    Article • Molecular Physics, July 2014, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  123. Surfactant–copper(II) Schiff base complexes: synthesis, structural investigation, DNA interaction, docking studies, and cytotoxic activity

    Article • Journal of Biomolecular Structure and Dynamics, May 2014, Taylor & Francis

    Dr. VIJAY SOLOMON RAJADURAI

  124. Halogen Bonding

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  125. M–H2 bonds in [NiFe] hydrogenase

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  126. Designing Bithiophene Azo Chromophores

    Article • Dyes and Pigments, January 2014, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  127. Can N and O-alkylation improve the photophysical properties of organic molecules?

    Article • European Journal of Organic Chemistry, December 2013, Wiley

    Dr. VIJAY SOLOMON RAJADURAI

  128. Role of electron withdrawing groups on optoelectronic properties of organic molecules

    Article • Journal of Photochemistry and Photobiology A Chemistry, November 2013, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  129. Molecular docking for the understanding of azo dye interactions with BSA & HSA

    Article • Journal of Luminescence, November 2013, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI, Professor Abdullah M. Asiri, Prof. Dr. Abdullah M. Asiri, Dr Anandan sambandam

  130. oligobenzo[c]thiophene for solar cell applications

    Article • Journal of Photochemistry and Photobiology A Chemistry, June 2013, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI, Dr Anandan sambandam

  131. Understanding weak bonding situation in inorganic silicon compounds

    Article • The Journal of Physical Chemistry A, April 2013, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  132. Studies on the inclusion behavior of 9-Aminoacridine into cyclodextrins: Spectroscopic and theoretical evidences

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, February 2013, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI

  133. perylene diimide-based copolymer for photovoltic applications

    Article • Journal of Photochemistry and Photobiology A Chemistry, November 2012, Elsevier

    Dr. VIJAY SOLOMON RAJADURAI, Dr Anandan sambandam

  134. First report on tuning triazene chromophores using DFT/TDDFT methods

    Article • The Journal of Physical Chemistry A, April 2012, American Chemical Society (ACS)

    Dr. VIJAY SOLOMON RAJADURAI

  135. Enhanced photocatalytic degradation of azo dyes using nano Fe3O4

    Article • Journal of the Iranian Chemical Society, January 2012, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  136. Tuning Benzosiloles through various substitutents from DFT/TDDFT studies

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI

  137. Is Imidozirconocene complex better catalyst?

    Article • Journal of Chemical Sciences, January 2012, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  138. Hypocrellin B upon DNA binding

    Article • Journal of Fluorescence, March 2011, Springer Science + Business Media

    Dr. VIJAY SOLOMON RAJADURAI

  139. Elucidating the structures and binding of halide ions bound to cucurbit[6]uril, hemi-cucurbit[6]uril and bambus[6]uril using DFT calculations

    Article • RSC Advances, January 2011, Royal Society of Chemistry

    Dr. VIJAY SOLOMON RAJADURAI, Dr Mahesh Sundararajan