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Dr. K. Rudharachari Maiyelvaganan
Dr. K. Rudharachari Maiyelvaganan
Verified email at iitk.ac.in
Title
Cited by
Cited by
Year
Novel SeS2-loaded Co MOF with Au@ PANI comprised electroanalytical molecularly imprinted polymer-based disposable sensor for patulin mycotoxin
SP Selvam, AN Kadam, KR Maiyelvaganan, M Prakash, S Cho
Biosensors and Bioelectronics 187, 113302, 2021
532021
Density Functional Theory Studies on Zeolitic Imidazolate Framework-8 and Ionic Liquid-Based Composite Materials
A Thomas, KR Maiyelvaganan, S Kamalakannan, M Prakash
ACS omega 4 (27), 22655-22666, 2019
302019
Ferrocene conjugated donor-π-acceptor malononitrile dimer: Synthesis, theoretical calculations, electrochemical, optical and nonlinear optical studies
S Prabu, E David, T Viswanathan, JSA Jinisha, R Malik, ...
Journal of Molecular Structure, 127302, 2019
302019
Adsorption of ionic liquids on carbonaceous surfaces: The effect of curvature on selective anion⋯ π and cation⋯ π interactions
KR Maiyelvaganan, S Kamalakannan, M Prakash
Applied Surface Science 495, 143538, 2019
252019
Carbon dioxide adsorption and activation on ionic liquid decorated Au (111) surface: A DFT study
S Kamalakannan, KR Maiyelvaganan, K Palanisamy, A Thomas, RB Said, ...
Chemosphere 286, 131612, 2022
202022
Investigation of non-covalent interactions in Polypyrrole/Polyaniline/Carbon black ternary complex for enhanced thermoelectric properties via interfacial carrier scattering and …
U Sreevidya, V Shalini, S Kavirajan, KR Maiyelvaganan, M Prakash, ...
Journal of Colloid and Interface Science 630, 46-60, 2023
142023
Mechanistic study of the [2+ 2] cycloaddition reaction of cyclohexenone and its derivatives with vinyl acetate
HA Mohammad-Salim, HH Abdallah, KR Maiyelvaganan, M Prakash, ...
Theoretical Chemistry Accounts 139 (2), 1-11, 2019
132019
Identification of a Grotthuss proton hopping mechanism at protonated polyhedral oligomeric silsesquioxane (POSS)–water interface
KR Maiyelvaganan, S Kamalakannan, S Shanmugan, M Prakash, ...
Journal of Colloid and Interface Science 605, 701-709, 2022
82022
Simultaneous interaction of graphene nanoflakes with cations and anions: A cooperativity study
KR Maiyelvaganan, M Prakash, MK Ravva
Computational and Theoretical Chemistry 1209, 113601, 2022
72022
Twisted Eigen Can Induce Proton Transfer at a Hydrophobic–Hydrophilic Interface
KR Maiyelvaganan, MK Ravva, M Prakash
The Journal of Physical Chemistry A 124 (17), 3364-3373, 2020
52020
Cyclo [18] carbon‐A new class of electron acceptor for organic solar cells applications
S Haseena, KR Maiyelvaganan, M Prakash, MK Ravva
Journal of Molecular Structure 1271, 134025, 2023
42023
Benchmark studies on protonated benzene (BZH+) and water (Wn, n = 1–6) clusters: a comparison of hybrid DFT with MP2/CBS and CCSD(T)/CBS methods
KR Maiyelvaganan, MK Ravva, M Prakash, V Subramanian
Theoretical Chemistry Accounts 139 (9), 147, 2020
42020
Role of Functional Groups in an Ionic Liquid Decorated Au (111) Surface for CO2 Capture and Activation: A First Principle Approach
S Kamalakannan, KR Maiyelvaganan, M Prakash
Journal of The Electrochemical Society 169 (5), 056524, 2022
32022
Fragmentation dynamics of CH 3 Cl q+ (q= 2, 3): theory and experiment
P Bhatt, KR Maiyelvaganan, M Prakash, J Palaudoux, CP Safvan, ...
Physical Chemistry Chemical Physics 24 (45), 27619-27630, 2022
32022
Studies on hydrogen storage in molecules, cages, clusters, and materials: A DFT study
KR Maiyelvaganan, M Janani, K Gopalsamy, MK Ravva, M Prakash, ...
Atomic Clusters with Unusual Structure, Bonding and Reactivity, 213-235, 2023
22023
Role of Functional Groups in ILs Decorated Au (111) Surface for CO2 Capture and Activation: A First Principle Approach
S Kamalakannan, KR Maiyelvaganan, M Prakash
ECS Transactions 107 (1), 11383, 2022
22022
In silico screening of potential antiviral inhibitors against SARS-CoV-2 main protease
K Palanisamy, KR Maiyelvaganan, S Kamalakannan, R Thilagavathi, ...
Molecular Simulation 49 (2), 175-185, 2023
12023
Experimental insights and DFT analysis of metal-free DNA nanocatalyst with enhanced hydrogen evolution via phosphate-mediated proton acceptance
SP Selvam, S Kamalakannan, KR Maiyelvaganan, M Prakash, S Gopi, ...
International Journal of Hydrogen Energy 51, 1558-1576, 2024
2024
Cover Feature: Formation of Eigen or Zundel Features at Protonated Water Cluster–Aromatic Interfaces (ChemPhysChem 16/2023)
M Prakash, K Rudharachari Maiyelvaganan, NG Lakshman, ...
ChemPhysChem 24 (16), e202300494, 2023
2023
Formation of Eigen or Zundel Features at Protonated Water Cluster–Aromatic Interfaces
M Prakash, K Rudharachari Maiyelvaganan, NG Lakshman, ...
ChemPhysChem 24 (16), e202300267, 2023
2023
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