Works by Sundararajan, Mahesh

Results: 21

Designing Novel Nanomaterials through Functionalization of Carbon Nanotubes with Supramolecules for Application in Nuclear Waste Management.

Published in:

Separation Science & Technology, 2013, v. 48, n. 16, p. 2391, doi. 10.1080/01496395.2013.807829

By:

Sundararajan, Mahesh

Publication type:

Article

Is corannulene a better diene or dienophile? A DFT analysis.

Published in:

Journal of Physical Organic Chemistry, 2008, v. 21, n. 2, p. 146, doi. 10.1002/poc.1299

By:

Jayapal, Prabha;
Sundararajan, Mahesh;
Rajaraman, Gopalan;
Venuvanalingam, Ponnambalam;
Kalagi, Rashmi;
Gadre, Shridhar R.

Publication type:

Article

Can the semiempirical PM3 scheme describe iron-containing bioinorganic molecules?

Published in:

Journal of Computational Chemistry, 2006, v. 27, n. 12, p. 1307, doi. 10.1002/jcc.20403

By:

McNamara, Jonathan P.;
Sundararajan, Mahesh;
Hillier, Ian H.;
Jun Ge;
Campbell, Andrew;
Morgado, Claudio

Publication type:

Article

Can Periodic Table of Melakartha Ragas be Used to Understand Classical Music Better?

Published in:

Resonance: Journal of Science Education, 2024, v. 29, n. 6, p. 779, doi. 10.1007/s12045-024-0779-9

By:

Sundararajan, Mahesh

Publication type:

Article

Coordination diversity in palladium(II)-picolinamide ligand complexes: structural and quantum chemical studies.

Published in:

Journal of Coordination Chemistry, 2017, v. 70, n. 9, p. 1548, doi. 10.1080/00958972.2017.1313973

By:

Das, Debasish;
Muruganantham, Amsaveni;
Kannan, S.;
Kumar, Mukesh;
Sundararajan, Mahesh;
Sureshkumar, M. K.

Publication type:

Article

The structure and spin-states of some Fe(III) mimics of nitrile hydratase, studied by DFT and ONIOM(DFT:PM3) calculations.

Published in:

Molecular Physics, 2005, v. 103, n. 6-8, p. 905, doi. 10.1080/00268970512331340583

By:

Morgado, Claudio A.;
Mcnamara, Jonathan P.;
Hillier, Ian H.;
Sundararajan, Mahesh

Publication type:

Article

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

Published in:

Journal of Biological Inorganic Chemistry (JBIC), 2020, v. 25, n. 2, p. 213, doi. 10.1007/s00775-020-01753-8

By:

Mishra, Lokpati;
Sundararajan, Mahesh;
Bandyopadhyay, Tusar

Publication type:

Article

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

Published in:

Journal of Biological Inorganic Chemistry (JBIC), 2018, v. 23, n. 3, p. 413, doi. 10.1007/s00775-018-1547-7

By:

Senthilnathan, Dhurairajan;
Solomon, Rajadurai Vijay;
Kiruthika, Shanmugam;
Venuvanalingam, Ponnambalam;
Sundararajan, Mahesh

Publication type:

Article

Late‐stage Ligand Modification After Coordination Strengthens Stereoselectively Self‐Assembled Hemiaminal Ether Complexes.

Published in:

Chemistry - An Asian Journal, 2023, v. 18, n. 20, p. 1, doi. 10.1002/asia.202300706

By:

Raje, Sakthi;
Koner, Abhishek;
Ghosh, Suchismita;
Butcher, Ray J.;
Mathivathanan, Logesh;
Sundararajan, Mahesh;
Angamuthu, Raja

Publication type:

Article

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

Published in:

Journal of Chemical Sciences, 2019, v. 131, n. 2, p. 1, doi. 10.1007/s12039-019-1591-z

By:

Mishra, Lokpati;
Sundararajan, Mahesh

Publication type:

Article

Can uranyl complexes encapsulate to carbon nanotubes? A periodic DFT study.

Published in:

Journal of Chemical Sciences, 2017, v. 129, n. 6, p. 783, doi. 10.1007/s12039-017-1297-z

By:

Srinivasu, K;
Sundararajan, Mahesh

Publication type:

Article

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

Published in:

Journal of Radioanalytical & Nuclear Chemistry, 2016, v. 308, n. 1, p. 303, doi. 10.1007/s10967-015-4664-6

By:

Kumar, Pranaw;
Jaison, P.;
Telmore, V.;
Alamelu, D.;
Aggarwal, S.;
Sadhu, Biswajit;
Sundararajan, Mahesh

Publication type:

Article

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

Published in:

International Journal of Quantum Chemistry, 2017, v. 117, n. 22, p. n/a, doi. 10.1002/qua.25418

By:

Sadhu, Biswajit;
Sundararajan, Mahesh;
Pillai, Anilkumar;
Singh, Rajvir;
Bandyopadhyay, Tusar

Publication type:

Article

Predicting the redox properties of uranyl complexes using electronic structure calculations.

Published in:

International Journal of Quantum Chemistry, 2017, v. 117, n. 12, p. 1, doi. 10.1002/qua.25370

By:

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

Publication type:

Article

Structural degradation of polyallyl diglycol carbonate (PADC) polymer: analytical characterization and simulation studies.

Published in:

International Journal of Polymer Analysis & Characterization, 2024, v. 29, n. 5, p. 328, doi. 10.1080/1023666X.2024.2369891

By:

Ramkumar, Jayshree;
K. V., Vrinda Devi;
Sundararajan, Mahesh;
K., Biju

Publication type:

Article

Remarkably High Separation of Neodymium from Praseodymium by Selective Dissolution from their Oxide Mixture using an Ionic Liquid Containing aβ‐Diketone.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 26, p. 1, doi. 10.1002/chem.202303923

By:

Sengupta, Arijit;
Goyal, Priya;
Prava Mantry, Swarna;
Sundararajan, Mahesh;
Kumar Verma, Parveen;
Kumar Mohapatra, Prasanta

Publication type:

Article

Speciation of uranium-mandelic acid complexes using electrospray ionization mass spectrometry and density functional theory.

Published in:

Rapid Communications in Mass Spectrometry: RCM, 2017, v. 31, n. 6, p. 561, doi. 10.1002/rcm.7817

By:

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

Publication type:

Article

Speciation of platinum-benzoylthiourea in the gas phase using electrospray ionization mass spectrometry and density functional theory.

Published in:

Rapid Communications in Mass Spectrometry: RCM, 2013, v. 27, n. 9, p. 947, doi. 10.1002/rcm.6532

By:

Kumar, Pranaw;
Jaison, P. G.;
Sundararajan, Mahesh;
Telmore, Vijay M.;
Ghosh, Swapan K.;
Aggarwal, Suresh K.

Publication type:

Article

Structure‐Modulated Complexation of Actinides with Phosphonates: A Combined Experimental and Quantum Chemical Investigation.

Published in:

ChemistrySelect, 2018, v. 3, n. 40, p. 11309, doi. 10.1002/slct.201801841

By:

Chandrasekar, Aditi;
Rao, C. V. S. Brahmmananda;
Sundararajan, Mahesh;
Ghanty, Tapan K.;
Nagarajan, Sivaraman

Publication type:

Article

Polarity‐Dependant Intramolecular Charge Transfer Characteristics of 9‐Cyano‐10‐(1H‐pyrrol‐1‐yl)anthracene: Photophysical Investigations.

Published in:

ChemistrySelect, 2017, v. 2, n. 30, p. 9751, doi. 10.1002/slct.201701916

By:

Gharat, Poojan Milan;
Muralidharan, Sukumaran;
Sundararajan, Mahesh;
Pal, Haridas;
Dutta Choudhury, Sharmistha

Publication type:

Article

MD simulation reveals differential binding of Cm(III) and Th(IV) with serum transferrin at acidic pH.

Published in:

Proteins, 2021, v. 89, n. 2, p. 193, doi. 10.1002/prot.26006

By:

Mishra, Lokpati;
Sundararajan, Mahesh;
Bandyopadhyay, Tusar

Publication type:

Article