Year |
Citation |
Score |
2023 |
Story B, Sadhu B, Adams H, Clark AE. Additive energy functions have predictable landscape topologies. The Journal of Chemical Physics. 158. PMID 37096849 DOI: 10.1063/5.0140667 |
0.477 |
|
2022 |
Sadhu B, Clark AE. Modulating Aggregation in Microemulsions: The Dispersion by Competitive Intermolecular Interaction Model. The Journal of Physical Chemistry Letters. 13: 10981-10987. PMID 36404619 DOI: 10.1021/acs.jpclett.2c02658 |
0.495 |
|
2021 |
Patra K, Sadhu B, Sengupta A, Patil CB, Mishra RK, Kaushik CP. Achieving highly efficient and selective cesium extraction using 1,3-di-octyloxycalix[4]arene-crown-6 in -octanol based solvent system: experimental and DFT investigation. Rsc Advances. 11: 21323-21331. PMID 35478782 DOI: 10.1039/d1ra02661e |
0.306 |
|
2020 |
Sadhu B, Dolg M, Kulkarni MS. Periodic trends and complexation chemistry of tetravalent actinide ions with a potential actinide decorporation agent 5-LIO(Me-3,2-HOPO): A relativistic density functional theory exploration. Journal of Computational Chemistry. 41: 1427-1435. PMID 32125003 DOI: 10.1002/Jcc.26186 |
0.481 |
|
2019 |
Sadhu B, Dolg M. Enhancing Actinide(III) over Lanthanide(III) Selectivity through Hard-by-Soft Donor Substitution: Exploitation and Implication of Near-Degeneracy-Driven Covalency. Inorganic Chemistry. 58: 9738-9748. PMID 31343876 DOI: 10.1021/Acs.Inorgchem.9B00705 |
0.44 |
|
2019 |
Ali M, Sadhu B, Boda A, Tiwari N, Das A, Musharaf Ali SK, Bhattacharya D, Pandey BN, Kumar A. Thorium decorporation efficacy of rationally-selected biocompatible compounds with relevance to human application. Journal of Hazardous Materials. 365: 952-961. PMID 30616306 DOI: 10.1016/J.Jhazmat.2018.11.038 |
0.32 |
|
2018 |
Sadhu B, Mishra V. The coordination chemistry of lanthanide and actinide metal ions with hydroxypyridinone-based decorporation agents: orbital and density based analyses. Dalton Transactions (Cambridge, England : 2003). PMID 30417921 DOI: 10.1039/C8Dt03262A |
0.484 |
|
2017 |
Kannan S, Kumar M, Sadhu B, Jaccob M, Sundararajan M. Unusual intramolecular CHO hydrogen bonding interaction between a sterically bulky amide and uranyl oxygen. Dalton Transactions (Cambridge, England : 2003). PMID 29171845 DOI: 10.1039/C7Dt02760E |
0.631 |
|
2017 |
Sadhu B, Sundararajan M, Bandyopadhyay T. Divalent ions are potential permeating blockers of the non-selective NaK ion channel: combined QM and MD based investigations. Physical Chemistry Chemical Physics : Pccp. PMID 28981131 DOI: 10.1039/C7Cp05586B |
0.652 |
|
2017 |
Sadhu B, Sundararajan M, Pillai A, Singh R, Bandyopadhyay T. Selective separation of strontium by multitopic ion-pair receptor: A DFT exploration International Journal of Quantum Chemistry. 117: e25418. DOI: 10.1002/Qua.25418 |
0.654 |
|
2017 |
Khungar B, Roy A, Kumar A, Sadhu B, Sundararajan M. Predicting the redox properties of uranyl complexes using electronic structure calculations International Journal of Quantum Chemistry. 117: e25370. DOI: 10.1002/Qua.25370 |
0.594 |
|
2016 |
Kumar P, Jaison PG, Telmore VM, Sadhu B, Sundararajan M. Speciation of Uranium-Mandelic Acid Complexes using Electrospray Ionization Mass Spectrometry and Density Functional Theory. Rapid Communications in Mass Spectrometry : Rcm. PMID 28035726 DOI: 10.1002/Rcm.7817 |
0.611 |
|
2016 |
Sadhu B, Sundararajan M. Asn47 and Phe114 modulate the inner sphere reorganization energies of type zero copper proteins. Physical Chemistry Chemical Physics : Pccp. PMID 27271560 DOI: 10.1039/C6Cp00747C |
0.586 |
|
2016 |
Vats BG, Das D, Sadhu B, Kannan S, Pius IC, Noronha DM, Sundararajan M, Kumar M. Selective recognition of uranyl ions from bulk of thorium(iv) and lanthanide(iii) ions by tetraalkyl urea: a combined experimental and quantum chemical study. Dalton Transactions (Cambridge, England : 2003). PMID 27241102 DOI: 10.1039/C6Dt01191H |
0.669 |
|
2016 |
Sadhu B, Sundararajan M, Bandyopadhyay T. Efficient Separation of Europium Over Americium Using Cucurbit-[5]-uril Supramolecule: A Relativistic DFT Based Investigation. Inorganic Chemistry. PMID 26741954 DOI: 10.1021/Acs.Inorgchem.5B01627 |
0.693 |
|
2016 |
Kumar P, Jaison PG, Telmore VM, Alamelu D, Aggarwal SK, Sadhu B, Sundararajan M. Gas phase reactions of uranyl with α-hydroxyisobutyric acid using electrospray ionization mass spectrometry and density functional theory Journal of Radioanalytical and Nuclear Chemistry. 308: 303-310. DOI: 10.1007/S10967-015-4664-6 |
0.605 |
|
2015 |
Sadhu B, Sundararajan M, Bandyopadhyay T. Selectivity of a Singly Permeating Ion in Nonselective NaK Channel: Combined QM and MD Based Investigations. The Journal of Physical Chemistry. B. 119: 12783-97. PMID 26377764 DOI: 10.1021/Acs.Jpcb.5B05996 |
0.657 |
|
2015 |
Sadhu B, Sundararajan M, Velmurugan G, Venuvanalingam P. Elucidating the structures and cooperative binding mechanism of cesium salts to the multitopic ion-pair receptor through density functional theory calculations. Dalton Transactions (Cambridge, England : 2003). 44: 15450-62. PMID 26227949 DOI: 10.1039/C5Dt01095K |
0.667 |
|
2015 |
Sadhu B, Sundararajan M, Bandyopadhyay T. Water-Mediated Differential Binding of Strontium and Cesium Cations in Fulvic Acid. The Journal of Physical Chemistry. B. 119: 10989-97. PMID 25794241 DOI: 10.1021/Acs.Jpcb.5B01659 |
0.661 |
|
2014 |
Verma PK, Pathak PN, Kumari N, Sadhu B, Sundararajan M, Aswal VK, Mohapatra PK. Effect of successive alkylation of N,N-dialkyl amides on the complexation behavior of uranium and thorium: solvent extraction, small angle neutron scattering, and computational studies. The Journal of Physical Chemistry. B. 118: 14388-96. PMID 25422857 DOI: 10.1021/Jp5074285 |
0.673 |
|
2014 |
Verma PK, Kumari N, Pathak PN, Sadhu B, Sundararajan M, Aswal VK, Mohapatra PK. 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. The Journal of Physical Chemistry. A. 118: 3996-4004. PMID 24815040 DOI: 10.1021/Jp503037Q |
0.644 |
|
2013 |
Verma PK, Pathak PN, Mohapatra PK, Aswal VK, Sadhu B, Sundararajan M. An insight into third-phase formation during the extraction of thorium nitrate: evidence for aggregate formation from small-angle neutron scattering and validation by computational studies. The Journal of Physical Chemistry. B. 117: 9821-8. PMID 23895623 DOI: 10.1021/Jp4063548 |
0.628 |
|
2013 |
Khorwal V, Sadhu B, Dey A, Sundararajan M, Datta A. Modulation of protonation-deprotonation processes of 2-(4'-pyridyl)benzimidazole in its inclusion complexes with cyclodextrins. The Journal of Physical Chemistry. B. 117: 8603-10. PMID 23730970 DOI: 10.1021/Jp403476N |
0.597 |
|
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