Mahesh Sundararajan

All papers authored by Mahesh Sundararajan

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2024 Deesha D. Malik

, Wooyeol Ryu, Yujeong Kim

, Gurjot Singh, Jun-Hyeong Kim

, Muniyandi Sankaralingam

, Yong-Min Lee

, Mi Sook Seo, Mahesh Sundararajan

, Daniel Ocampo, Michael Roemelt

, Kiyoung Park

, Sun Hee Kim

, Mu-Hyun Baik

, Jason Shearer

and 3 other authors

Identification, Characterization, and Electronic Structures of Interconvertible Cobalt–Oxygen TAML Intermediates

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2020 Lokpati Mishra

, Mahesh Sundararajan

, Tusar Bandyopadhyay

Molecular dynamics simulations of plutonium binding and its decorporation from the binding-cleft of human serum transferrin

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Narendra Mandare, Ponnusamy Shanmugam

, Mahesh Sundararajan

, Sharmistha Dutta Choudhury

Unravelling the Photophysics of Triphenylamine and Diphenylamine Dyes: A Comprehensive Investigation with ortho-, meta- and para- Amido Substituted Derivatives

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2019 Mahesh Sundararajan

, Bohyun Park

, Mu-Hyun Baik

Regioselective Oxidation of C–H Bonds in Unactivated Alkanes by a Vanadium Superoxo Catalyst Bound to a Supramolecular Host

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Lokpati Mishra, Pramilla Damodar Sawant, Mahesh Sundararajan

, Tusar Bandyopadhyay

Binding of Cm(III) and Th(IV) with Human Transferrin at Serum pH: Combined QM and MD Investigations

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Lokpati Mishra, Mahesh Sundararajan

Quantum chemical studies of structures and spin Hamiltonian parameters of iron transferrin using isolated and embedded clusters models

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Aditi Chandrasekar, Tapan K. Ghanty

, C. V. S. Brahmmananda Rao, Mahesh Sundararajan

, N. Sivaraman

Strong influence of weak hydrogen bonding on actinide–phosphonate complexation: accurate predictions from DFT followed by experimental validation

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2018 Aditi Chandrasekar, Brahmmananda Rao C. V. S., Mahesh Sundararajan

, Tapan K. Ghanty, N. Sivaraman

Remarkable structural effects on the complexation of actinides with H-phosphonates: a combined experimental and quantum chemical study

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2017 Ruma Gupta

, Mahesh Sundararajan

, Jayashree S. Gamare

Ruthenium Nanoparticles Mediated Electrocatalytic Reduction of UO22+ Ions for Its Rapid and Sensitive Detection in Natural Waters

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Biswajit Sadhu, Mahesh Sundararajan

, Anilkumar Pillai, Rajvir Singh, Tusar Bandyopadhyay

Selective separation of strontium by multitopic ion-pair receptor: A DFT exploration

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Bharti Khungar, Ankita Roy, Anand Kumar, Biswajit Sadhu, Mahesh Sundararajan

Predicting the redox properties of uranyl complexes using electronic structure calculations: KHUNGAR et al.

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Pranaw Kumar

, P. G. Jaison, V. M. Telmore, Biswajit Sadhu, Mahesh Sundararajan

Speciation of uranium-mandelic acid complexes using electrospray ionization mass spectrometry and density functional theory: Study of uranium-mandelic acid complexes using ESI-MS and DFT

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Biswajit Sadhu, Mahesh Sundararajan

, Tusar Bandyopadhyay

Divalent ions are potential permeating blockers of the non-selective NaK ion channel: combined QM and MD based investigations

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Shanmugaperumal Kannan, Mukesh Kumar, Biswajit Sadhu, Madhavan Jaccob

, Mahesh Sundararajan

Unusual intramolecular CH⋯O hydrogen bonding interaction between a sterically bulky amide and uranyl oxygen

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2016 Pranaw Kumar, Pg G. Jaison, Vm M. Telmore, D. Alamelu, Sk K. Aggarwal, Biswajit Sadhu, Mahesh Sundararajan

Gas phase reactions of uranyl with α-hydroxyisobutyric acid using electrospray ionization mass spectrometry and density functional theory

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Biswajit Sadhu, Mahesh Sundararajan

, Tusar Bandyopadhyay

Efficient Separation of Europium Over Americium Using Cucurbit-[5]-uril Supramolecule: A Relativistic DFT Based Investigation

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Bal Govind Vats, Debasish Das, Biswajit Sadhu, S. Kannan, Ic Pius, Dm Noronha, Mahesh Sundararajan

, Mukesh Kumar

Selective recognition of uranyl ions from bulk of thorium (iv) and lanthanide (iii) ions by tetraalkyl urea: a combined experimental and quantum chemical study

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Biswajit Sadhu, Mahesh Sundararajan

Asn47 and Phe114 modulate the inner sphere reorganization energies of type zero copper proteins

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2015 Biswajit Sadhu, Mahesh Sundararajan

, Tusar Bandyopadhyay

Selectivity of a Singly Permeating Ion in Nonselective NaK Channel: Combined QM and MD Based Investigations

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Biswajit Sadhu, Mahesh Sundararajan

, Gunasekaran Velmurugan, Ponnambalam Venuvanalingam

Elucidating the structures and cooperative binding mechanism of cesium salts to the multitopic ion- pair receptor through density functional theory calculations †

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All papers authored by Mahesh Sundararajan