Mahesh Sundararajan
机构: Bhabha Atomic Research Centre
每年引用次数
引用次数
引用: 2,272
H-指数: 30
I10-指数 : 66
出版物: 129
Understanding the extraction and complexation of thorium using structurally modified CMPO functionalized pillar[5]arenes in ionic liquid: Experimental and theoretical investigations
Arijit Sengupta , Manpreet Singh , Mahesh Sundarajan , Lihua Yuan
Inorganic Chemistry Communications 75 33 -36
15
2017
Speciation of Iodide and Iodate Anions in Geochemical Environments: A Theory Driven Experimental Study
Ponnambalam Venuvanalingam Mahesh Sundararajan , Jayshree Ramkumar , Arulkumar Rasu
Austin Environmental Sciences 8 ( 3) 1093 -1093
2
2023
Healthcare Research: Computer Aided Drug Design
Mahesh Sundararajan and A. K. Pathak
BARC Newsletter 34 -34
2024
MD simulation reveals differential binding of Cm(III) and Th(IV) with serum transferrin at acidic pH
Mahesh Sundararajan , Tusar Bandyopadhyay , Tusar Bandyopadhyay , Lokpati Mishra
Proteins 89 ( 2) 193 -206
2021
Near-Infrared Fluorescent Probe Activated by Nitroreductase for In Vitro and In Vivo Hypoxic Tumor Detection.
Jonathan L Sessler , Mahesh Sundararajan , Kwan Soo Hong , Hyunseung Lee
Journal of Medicinal Chemistry 64 ( 6) 2971 -2981
29
2021
High level ab initio and DFT calculations of models of the catalytically active Ni–Fe hydrogenases
Prabha Jayapal , David Robinson , Mahesh Sundararajan , Ian H. Hillier
Physical Chemistry Chemical Physics 10 ( 13) 1734 -1738
16
2008
Which density functional should be used to study actinyl complexes
Jonathan P. Austin , Neil A. Burton , Ian H. Hillier , Mahesh Sundararajan
Physical Chemistry Chemical Physics 11 ( 8) 1143 -1145
39
2009
Structure and ionization energies of some analogues of iron-only hydrogenases studied by density functional theory methods
Prabha Jayapal , Mahesh Sundararajan , Ian H. Hillier , Neil A. Burton
Journal of Organometallic Chemistry 691 ( 21) 4532 -4538
3
2006
Speciation of platinum-benzoylthiourea in the gas phase using electrospray ionization mass spectrometry and density functional theory.
Pranaw Kumar , P. G. Jaison , Mahesh Sundararajan , Vijay M. Telmore
Rapid Communications in Mass Spectrometry 27 ( 9) 947 -954
7
2013
Speciation of uranium‐mandelic acid complexes using electrospray ionization mass spectrometry and density functional theory
Pranaw Kumar , P.G. Jaison , V.M. Telmore , Biswajit Sadhu
Rapid Communications in Mass Spectrometry 31 ( 6) 561 -571
7
2017
Synthesis, structural and theoretical studies of dithiodiglycolamide compounds of palladium(II)
Balgovind Vats , S. Kannan , Mahesh Sundararajan , Mukesh Kumar
Dalton Transactions 44 ( 26) 11867 -11876
6
2015
Supramolecular host-guest interactions of oxazine-1 dye with β- and γ-cyclodextrins: a photophysical and quantum chemical study.
Mhejabeen Shaikh , Jyotirmayee Mohanty , Mahesh Sundararajan , Achikanath C. Bhasikuttan
Journal of Physical Chemistry B 116 ( 41) 12450 -12459
31
2012
Regioselective Oxidation of C–H Bonds in Unactivated Alkanes by a Vanadium Superoxo Catalyst Bound to a Supramolecular Host
Mahesh Sundararajan , Bohyun Park , Mu-Hyun Baik
Inorganic Chemistry 58 ( 23) 16250 -16255
1
2019
Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling.
Seihwan Ahn , Mannkyu Hong , Mahesh Sundararajan , Daniel H. Ess
Chemical Reviews 119 ( 11) 6509 -6560
115
2019
Selectivity of a Singly Permeating Ion in Nonselective NaK Channel: Combined QM and MD Based Investigations.
Biswajit Sadhu , Mahesh Sundararajan , Tusar Bandyopadhyay
Journal of Physical Chemistry B 119 ( 40) 12783 -12797
14
2015
Synergistic Effect of Intramolecular Charge Transfer toward Supramolecular pKa Shift in Cucurbit[7]uril Encapsulated Coumarin Dyes
Nilotpal Barooah , Mahesh Sundararajan , Jyotirmayee Mohanty , Achikanath C. Bhasikuttan
Journal of Physical Chemistry B 118 ( 25) 7136 -7146
59
2014
Investigations on preferential Pu(IV) extraction over U(VI) by N,N-dihexyloctanamide versus tri-n-butyl phosphate: evidence through small angle neutron scattering and DFT studies.
P. K. Verma , Neelam Kumari , P. N. Pathak , Biswajit Sadhu
Journal of Physical Chemistry A 118 ( 22) 3996 -4004
25
2014
Intense phototautomer emission of 2-(3′-pyridyl)benzimidazole encapsulated in Nafion membrane
E. Siva Subramaniam Iyer , Vijaykant Khorwal , Mahesh Sundararajan , Anindya Datta
RSC Advances 3 ( 4) 1145 -1150
3
2013
On the interaction of uranyl with functionalized fullerenes: a DFT investigation
Naresh K. Jena , Mahesh Sundararajan , Swapan K. Ghosh
RSC Advances 2 ( 7) 2994 -2999
17
2012
Asn47 and Phe114 modulate the inner sphere reorganization energies of type zero copper proteins.
Biswajit Sadhu , Mahesh Sundararajan
Physical Chemistry Chemical Physics 18 ( 25) 16748 -16756
1
2016