Articles with public access mandates - Mahesh SundararajanLearn more
Not available anywhere: 7
Design and optimization of catalysts based on mechanistic insights derived from quantum chemical reaction modeling
S Ahn, M Hong, M Sundararajan, DH Ess, MH Baik
Chemical reviews 119 (11), 6509-6560, 2019
Mandates: US Department of Energy
Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co (II) complexes
M Sundararajan, D Ganyushin, S Ye, F Neese
Dalton Transactions, 6021-6036, 2009
Mandates: German Research Foundation
Elucidating the structures and binding of halide ions bound to cucurbit [6] uril, hemi-cucurbit [6] uril and bambus [6] uril using DFT calculations
M Sundararajan, RV Solomon, SK Ghosh, P Venuvanalingam
RSC advances 1 (7), 1333-1341, 2011
Mandates: Council of Scientific and Industrial Research, India
Coordination diversity in palladium (II)-picolinamide ligand complexes: structural and quantum chemical studies
D Das, A Muruganantham, S Kannan, M Kumar, M Sundararajan, ...
Journal of Coordination Chemistry 70 (9), 1548-1553, 2017
Mandates: Department of Science & Technology, India
Unravelling the photophysics of triphenylamine and diphenylamine dyes: a comprehensive investigation with ortho-, meta-and para-amido substituted derivatives
N Mandare, P Shanmugam, M Sundararajan, SD Choudhury
New Journal of Chemistry 44 (44), 19061-19075, 2020
Mandates: Council of Scientific and Industrial Research, India
Late‐stage Ligand Modification After Coordination Strengthens Stereoselectively Self‐Assembled Hemiaminal Ether Complexes
S Raje, A Koner, S Ghosh, RJ Butcher, L Mathivathanan, M Sundararajan, ...
Chemistry–An Asian Journal 18 (20), e202300706, 2023
Mandates: Council of Scientific and Industrial Research, India, Department of Science …
The role of anagostic interactions in the Pd− Superoxo formation in aerobic Pd catalysed C–C coupling reaction: What do DFT computations reveal?
A Rasu, M Sundararajan, P Venuvanalingam
Computational and Theoretical Chemistry 1228, 114284, 2023
Mandates: Council of Scientific and Industrial Research, India, Department of Science …
Available somewhere: 13
Can functionalized cucurbituril bind actinyl cations efficiently? A density functional theory based investigation
M Sundararajan, V Sinha, T Bandyopadhyay, SK Ghosh
The Journal of Physical Chemistry A 116 (17), 4388-4395, 2012
Mandates: Department of Science & Technology, India
Outer-sphere contributions to the electronic structure of type zero copper proteins
KM Lancaster, ME Zaballa, S Sproules, M Sundararajan, S DeBeer, ...
Journal of the American Chemical Society 134 (19), 8241-8253, 2012
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
A comparative study of Ir (III) complexes with pyrazino [2, 3-f][1, 10] phenanthroline and pyrazino [2, 3-f][4, 7] phenanthroline ligands in light-emitting electrochemical …
I González, P Dreyse, D Cortés-Arriagada, M Sundararajan, C Morgado, ...
Dalton Transactions 44 (33), 14771-14781, 2015
Mandates: Government of Spain
Modulation of protonation–deprotonation processes of 2-(4′-pyridyl) benzimidazole in its inclusion complexes with cyclodextrins
V Khorwal, B Sadhu, A Dey, M Sundararajan, A Datta
The Journal of Physical Chemistry B 117 (28), 8603-8610, 2013
Mandates: Council of Scientific and Industrial Research, India
Stabilizing terminal Ni (III)–hydroxide complex using NNN-pincer ligands: synthesis and characterization
J Rajpurohit, P Shukla, P Kumar, C Das, S Vaidya, M Sundararajan, ...
Inorganic Chemistry 58 (9), 6257-6267, 2019
Mandates: Council of Scientific and Industrial Research, India, Department of Science …
Ultrasonic, spectrophotometric and theoretical studies of sigma and PI interactions of iodine with substituted benzene
AJA Baskar, R Kumar, RV Solomon, M Sundararajan, V Kannappan, ...
RSC Advances 5 (56), 44873-44885, 2015
Mandates: Department of Science & Technology, India
Are cucurbiturils better drug carriers for bent metallocenes? Insights from theory
D Senthilnathan, RV Solomon, S Kiruthika, P Venuvanalingam, ...
JBIC Journal of Biological Inorganic Chemistry 23, 413-423, 2018
Mandates: Council of Scientific and Industrial Research, India
Elucidating the structures and cooperative binding mechanism of cesium salts to the multitopic ion-pair receptor through density functional theory calculations
B Sadhu, M Sundararajan, G Velmurugan, P Venuvanalingam
Dalton Transactions 44 (35), 15450-15462, 2015
Mandates: Council of Scientific and Industrial Research, India, Department of Science …
Synthesis, structural and theoretical studies of dithiodiglycolamide compounds of palladium (II)
B Vats, S Kannan, M Sundararajan, M Kumar, MGB Drew
Dalton Transactions 44 (26), 11867-11876, 2015
Mandates: UK Engineering and Physical Sciences Research Council
A six-coordinate high-spin Fe (IV) O species of cucurbit [5] uril: a highly potent catalyst for CH hydroxylation of methane, if synthesised
R Kumar, M Sundararajan, G Rajaraman
Chem. Commun. 57 (100), 13760-13763, 2021
Mandates: Department of Science & Technology, India
Intense phototautomer emission of 2-(3′-pyridyl) benzimidazole encapsulated in Nafion membrane
ESS Iyer, V Khorwal, M Sundararajan, A Datta
RSC advances 3 (4), 1145-1150, 2013
Mandates: Council of Scientific and Industrial Research, India
Postsynthetic Modification Strengthens the Stereoselectively Self-Assembled Hemiaminal Ether Complexes
S Raje, M Sundararajan, R Angamuthu
Mandates: Council of Scientific and Industrial Research, India, Department of Science …
A Six-Coordinate High-Spin FeIV= O Species of Cucurbit [5] uril: A Highly Potent Catalyst for CH Hydroxylation of Methane, If synthesised
G Rajaraman, R Kumar, M Sundararajan
Mandates: Department of Science & Technology, India
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