Dr. Sk. Musharaf Ali
Dr. Sk. Musharaf Ali
Scientist, Computational and Theoretical chemistry, Bhabha Atomic Research Centre
Verified email at barc.gov.in
Title
Cited by
Cited by
Year
Universal scaling laws of diffusion in a binary fluid mixture
A Samanta, SM Ali, SK Ghosh
Physical review letters 87 (24), 245901, 2001
942001
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
572004
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
54*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
522017
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
492010
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 (5), 1091-1108, 2011
452011
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 and …
A Boda, SM Ali, H Rao, SK Ghosh
Journal of molecular modeling 18 (8), 3507-3522, 2012
422012
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
342016
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
342016
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
312017
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
302012
Ligands for selective metal ion extraction: A molecular modeling approach
SM Ali, DK Maity, S De, MRK Shenoi
Desalination 232 (1-3), 181-190, 2008
302008
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
292017
Microhydration of ion: A density functional theory study on clusters
SM Ali, S De, DK Maity
The Journal of chemical physics 127 (4), 044303, 2007
292007
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 (4), 41, 2015
282015
Adsorption of Eu3+ and Am3+ ion towards hard donor-based diglycolamic acid-functionalised carbon nanotubes: density functional theory guided experimental verification
AK Singha Deb, SM Ali, KT Shenoy, SK Ghosh
Molecular Simulation 41 (5-6), 490-503, 2015
272015
Dual mode of extraction for Cs+ and Na+ ions with dicyclohexano-18-crown-6 and bis (2-propyloxy) calix [4] crown-6 in ionic liquids: density functional theoretical investigation
SM Ali, JM Joshi, AKS Deb, A Boda, KT Shenoy, SK Ghosh
RSC Advances 4 (44), 22911-22925, 2014
262014
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
222016
Universal scaling laws of diffusion: Application to liquid metals
A Samanta, S Musharaf Ali, SK Ghosh
The Journal of chemical physics 123 (8), 084505, 2005
222005
Understanding the complexation of Eu 3+ with three diglycolamide-functionalized calix [4] arenes: spectroscopic and DFT studies
SA Ansari, PK Mohapatra, SM Ali, A Sengupta, A Bhattacharyya, ...
Dalton transactions 45 (13), 5425-5429, 2016
202016
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