1. Achieving highly efficient and selective cesium extraction using 1, 3-di-octyloxycalix[4]arene-crown-6 in n-octanol based solvent system: experimental and DFT investigation. Issue 35 (16th June 2021) Authors: Patra, Kankan; Sadhu, Biswajit; Sengupta, Arijit; Patil, C. B.; Mishra, R. K.; Kaushik, C. P. Journal: RSC advances Issue: Volume 11:Issue 35(2021) Page Start: 21323 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Asn47 and Phe114 modulate the inner sphere reorganization energies of type zero copper proteins. Issue 25 (8th June 2016) Authors: Sadhu, Biswajit; Sundararajan, Mahesh Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 25(2016) Page Start: 16748 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Divalent ions are potential permeating blockers of the non-selective NaK ion channel: combined QM and MD based investigations. Issue 40 (5th October 2017) Authors: Sadhu, Biswajit; Sundararajan, Mahesh; Bandyopadhyay, Tusar Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27611 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Elucidating the structures and cooperative binding mechanism of cesium salts to the multitopic ion-pair receptor through density functional theory calculations1. Issue 35 (21st September 2015) Authors: Sadhu, Biswajit; Sundararajan, Mahesh; Velmurugan, Gunasekaran; Venuvanalingam, Ponnambalam Journal: Dalton transactions Issue: Volume 44:Issue 35(2015) Page Start: 15450 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. 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. Issue 15 (3rd March 2020) Authors: Sadhu, Biswajit; Dolg, Michael; Kulkarni, Mukund S. Journal: Journal of computational chemistry Issue: Volume 41:Issue 15(2020) Page Start: 1427 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Predicting the redox properties of uranyl complexes using electronic structure calculations. Issue 12 (7th March 2017) Authors: Khungar, Bharti; Roy, Ankita; Kumar, Anand; Sadhu, Biswajit; Sundararajan, Mahesh Journal: International journal of quantum chemistry Issue: Volume 117:Issue 12(2017) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Selective recognition of uranyl ions from bulk of thorium(iv) and lanthanide(iii) ions by tetraalkyl urea: a combined experimental and quantum chemical study. Issue 25 (31st May 2016) Authors: Vats, Bal Govind; Das, Debasish; Sadhu, Biswajit; Kannan, S.; Pius, I. C.; Noronha, D. M.; Sundararajan, Mahesh; Kumar, Mukesh Journal: Dalton transactions Issue: Volume 45:Issue 25(2016) Page Start: 10319 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Selective separation of strontium by multitopic ion‐pair receptor: A DFT exploration. Issue 22 (18th June 2017) Authors: Sadhu, Biswajit; Sundararajan, Mahesh; Pillai, Anilkumar; Singh, Rajvir; Bandyopadhyay, Tusar Journal: International journal of quantum chemistry Issue: Volume 117:Issue 22(2017) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Speciation of uranium‐mandelic acid complexes using electrospray ionization mass spectrometry and density functional theory. (10th February 2017) Authors: Kumar, Pranaw; Jaison, P.G.; Telmore, V.M.; Sadhu, Biswajit; Sundararajan, Mahesh Journal: Rapid communications in mass spectrometry Issue: Volume 31:Number 6(2017) Page Start: 561 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. The coordination chemistry of lanthanide and actinide metal ions with hydroxypyridinone-based decorporation agents: orbital and density based analyses. Issue 46 (12th November 2018) Authors: Sadhu, Biswajit; Mishra, Vijayakriti Journal: Dalton transactions Issue: Volume 47:Issue 46(2018) Page Start: 16603 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗