Dr. Sk. Musharaf Ali
Dr. Sk. Musharaf Ali
Scientist, Computational and Theoretical chemistry, Bhabha Atomic Research Centre
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Cited by
Cited by
Universal scaling laws of diffusion in a binary fluid mixture
A Samanta, SM Ali, SK Ghosh
Physical review letters 87 (24), 245901, 2001
Novel amidoamine functionalized multi-walled carbon nanotubes for removal of mercury (II) ions from wastewater: combined experimental and density functional theoretical approach
AKS Deb, V Dwivedi, K Dasgupta, SM Ali, KT Shenoy
Chemical Engineering Journal 313, 899-911, 2017
New universal scaling laws of diffusion and Kolmogorov-Sinai entropy in simple liquids
A Samanta, SM Ali, SK Ghosh
Physical review letters 92 (14), 145901, 2004
Plasmons with orbital angular momentum
JT Mendonca, S Ali, B Thidé
Physics of Plasmas 16 (11), 2009
Complexation thermodynamics of diglycolamide with f-elements: solvent extraction and density functional theory analysis
SM Ali, S Pahan, A Bhattacharyya, PK Mohapatra
Physical Chemistry Chemical Physics 18 (14), 9816-9828, 2016
Ab initio and density functional theoretical design and screening of model crown ether based ligand (host) for extraction of lithium metal ion (guest): effect of donor …
A Boda, SM Ali, H Rao, SK Ghosh
Journal of molecular modeling 18, 3507-3522, 2012
Preferential interaction of charged alkali metal ions (guest) within a narrow cavity of cyclic crown ethers (neutral host): a quantum chemical investigation
S De, A Boda, SM Ali
Journal of Molecular Structure: THEOCHEM 941 (1-3), 90-101, 2010
DFT modeling on the suitable crown ether architecture for complexation with Cs+ and Sr2+ metal ions
A Boda, SM Ali, MRK Shenoi, H Rao, SK Ghosh
Journal of molecular modeling 17, 1091-1108, 2011
Mode coupling theory of self and cross diffusivity in a binary fluid mixture: Application to Lennard-Jones systems
SM Ali, A Samanta, SK Ghosh
The Journal of Chemical Physics 114 (23), 10419-10429, 2001
Surface engineering of PAMAM-SDB chelating resin with diglycolamic acid (DGA) functional group for efficient sorption of U (VI) and Th (IV) from aqueous medium
P Ilaiyaraja, AKS Deb, D Ponraju, SM Ali, B Venkatraman
Journal of hazardous materials 328, 1-11, 2017
Density functional theoretical analysis of structure, bonding, interaction and thermodynamic selectivity of hexavalent uranium (UO2 2+) and tetravalent plutonium (Pu …
S Pahan, A Boda, SM Ali
Theoretical Chemistry Accounts 134, 1-16, 2015
An amide functionalized task specific carbon nanotube for the sorption of tetra and hexa valent actinides: experimental and theoretical insight
A Sengupta, J Sk, A Boda, SM Ali
RSC advances 6 (46), 39553-39562, 2016
Novel Ag/cellulose-doped CeO2 quantum dots for efficient dye degradation and bactericidal activity with molecular docking study
M Ikram, S Hayat, M Imran, A Haider, S Naz, A Ul-Hamid, I Shahzadi, ...
Carbohydrate polymers 269, 118346, 2021
Benzene-centered tripodal diglycolamides: synthesis, metal ion extraction, luminescence spectroscopy, and DFT studies
A Leoncini, SA Ansari, PK Mohapatra, A Boda, SM Ali, A Sengupta, ...
Dalton Transactions 46 (5), 1431-1438, 2017
Density Functional Theoretical Investigation of Remarkably High Selectivity of the Cs+ Ion over the Na+ Ion toward Macrocyclic Hybrid Calix-Bis-Crown Ether
A Boda, MA Sheikh
The Journal of Physical Chemistry A 116 (33), 8615-8623, 2012
Micro-solvation of the Zn 2+ ion—a case study
S De, SM Ali, A Ali, VG Gaikar
Physical Chemistry Chemical Physics 11 (37), 8285-8294, 2009
Passage of TBP–uranyl complexes from aqueous–organic interface to the organic phase: insights from molecular dynamics simulation
P Sahu, SM Ali, KT Shenoy
Physical Chemistry Chemical Physics 18 (34), 23769-23784, 2016
Phonons with orbital angular momentum
MK Ayub, S Ali, JT Mendonca
Physics of Plasmas 18 (10), 2011
Molecular docking and DFT analyses of magnetic cobalt doped MoS2 and BN nanocomposites for catalytic and antimicrobial explorations
A Raza, JZ Hassan, M Ikram, S Naz, A Haider, A Ul-Hamid, I Shahzadi, ...
Surfaces and Interfaces 27, 101571, 2021
Carbon nano tubes functionalized with novel functional group-amido-amine for sorption of actinides
AKS Deb, S Pahan, K Dasgupta, S Panja, AK Debnath, PS Dhami, SM Ali, ...
Journal of Hazardous Materials 345, 63-75, 2018
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