1. A DFT study on the reaction pathway involved in the metal‐ion‐templated synthesis of benzo‐21‐crown‐7(B21C7) from catechol and hexaethylene glycol ditosylate in the presence of base. (8th December 2022) Authors: Sisodiya, Dilawar Singh; Ali, Sk. Musharaf; Chattopadhyay, Anjan Journal: Journal of physical organic chemistry Issue: Volume 36:Number 3(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A molecular dynamics study for the extraction of Cs+ and Na+ ions using dicyclohexano-18-crown-6 with octanol. Issue 14 (22nd September 2017) Authors: Biswas, Rima; Ghosh, Pallab; Ali, Sk. Musharaf; Banerjee, Tamal Journal: Separation science and technology Issue: Volume 52:Issue 14(2017) Page Start: 2291 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A new bisglycolamide substituted calix[4]arene-benzo-crown-6 for the selective removal of cesium ion: combined experimental and density functional theoretical investigation. Issue 52 (12th May 2016) Authors: Kumar, Vikas; Sharma, J. N.; Achuthan, P. V.; Singh, D. K.; Ali, Sk. Musharaf Journal: RSC advances Issue: Volume 6:Issue 52(2016) Page Start: 47120 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Amidoamine functionalized task specific carbon nanotube for efficient sorption of penta and hexavalent neptunium: Experimental and theoretical investigations. Issue 3 (June 2017) Authors: Sengupta, Arijit; Singha Deb, Ashish Kumar; Kumar, Parveen; Dasgupta, Kinshuk; Ali, Sk. Musharaf Journal: Journal of environmental chemical engineering Issue: Volume 5:Issue 3(2017:Sep.) Page Start: 3058 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. An amide functionalized task specific carbon nanotube for the sorption of tetra and hexa valent actinides: experimental and theoretical insight. Issue 46 (20th April 2016) Authors: Sengupta, Arijit; Sk., Jayabun; Boda, Anil; Ali, Sk. Musharaf Journal: RSC advances Issue: Volume 6:Issue 46(2016) Page Start: 39553 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. An atomistic perspective on the diffusion and permeation of hydrogen and isotopes through an engineered nanoporous silica membrane using molecular dynamics simulations. Issue 11 (10th August 2022) Authors: Sahu, Pooja; Ali, Sk. Musharaf Journal: Molecular Systems Design and Engineering Issue: Volume 7:Issue 11(2022) Page Start: 1501 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. An insight into the sequestration of tetra and hexavalent actinides by tri ethoxysilyl-amino-propyl-3-oxa-glutaramic acid (SAPOGA) functionalized titania. Issue 41 (14th October 2022) Authors: Pahan, Sumit; Sengupta, Arijit; Khan, P. N.; Ananthanarayanan, A.; Ali, Sk. Musharaf; Debnath, A. K.; Vincent, Tessy; Sugilal, G. Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 41(2022) Page Start: 25356 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. BaO-doped silicate and borosilicate glasses for enhanced chemical durability: molecular dynamics simulations based strategy for glass design. Issue 11 (10th August 2022) Authors: Sahu, Pooja; Ali, Sk. Musharaf Journal: Molecular Systems Design and Engineering Issue: Volume 7:Issue 11(2022) Page Start: 1477 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Complexation of thorium with pyridine monocarboxylate-N-oxides: Thermodynamic and computational studies. (July 2018) Authors: Dumpala, Rama Mohana Rao; Rawat, Neetika; Boda, Anil; Ali, Sk. Musharaf; Tomar, B.S. Journal: Journal of chemical thermodynamics Issue: Volume 122(2018) Page Start: 13 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Density functional theoretical tailoring of electronic effect through various substituents on calix[4]arene‐crown‐6 for efficient Cs+ ion encapsulation and extraction. Issue 2 (25th August 2020) Authors: Boda, Anil; Ali, Sk. Musharaf Journal: International journal of quantum chemistry Issue: Volume 121:Issue 2(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗