1. Ab Initio Study on Structure, Elastic, and Mechanical Properties of Lanthanide Sesquioxides. Issue 6 (14th February 2018) Authors: Pathak, Arup Kumar; Vazhappilly, Tijo Journal: Physica status solidi Issue: Volume 255:Issue 6(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. An ab initio study on the structure, energetics and spectra of F(CO2)n−: the observation on the strong F–CO2 bond. (1st April 2021) Authors: Pathak, Arup Kumar; Samanta, Alok Kumar Journal: New journal of chemistry Issue: Volume 45:Number 15(2021) Page Start: 6872 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Constant pH molecular dynamics study on the doubly mutated staphylococcal nuclease: capturing the microenvironment. Issue 115 (4th November 2015) Authors: Pathak, Arup Kumar Journal: RSC advances Issue: Volume 5:Issue 115(2015) Page Start: 94926 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Dielectric constant of solvents at nano to bulk regimes: linear response theory and statistical mechanics-based approaches. (18th October 2017) Authors: Pathak, Arup Kumar; Samanta, Alok Kumar Journal: Molecular physics Issue: Volume 115:Number 20(2017) Page Start: 2508 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Effect of pH on the hinge region of influenza viral protein: a combined constant pH and well-tempered molecular dynamics study. (17th April 2018) Authors: Pathak, Arup Kumar Journal: Journal of physics Issue: Volume 30:Number 19(2018) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Heat-induced transitions of an empty minute virus of mice capsid in explicit water: all-atom MD simulation. Issue 22 (12th December 2022) Authors: Pathak, Arup Kumar; Bandyopadhyay, Tusar Journal: Journal of biomolecular structure & dynamics Issue: Volume 40:Issue 22(2022) Page Start: 11900 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Microhydration of selenate, chromate and sulphate dianions: observation of indistinguishable IR spectra. (2nd January 2016) Authors: Pathak, Arup Kumar Journal: Molecular physics Issue: Volume 114:Number 1(2016) Page Start: 141 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Non-equilibrium solvation dynamics: results beyond linear response theory. (1st December 2020) Authors: Choudhury, Sayantani; Patra, Aniket; Pathak, Arup Kumar; Samanta, Alok Kumar Journal: Molecular physics Issue: Volume 118:Number 23(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Optical controlled non-equilibrium processes: effect of excitation wavelength. (6th June 2019) Authors: Bhattacharjee, Sinjini; Patra, Aniket; Pathak, Arup Kumar; Samanta, Alok Kumar Journal: Physica scripta Issue: Volume 94:Number 8(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Ortho‐7 bound to the active‐site gorge of free and OP‐conjugated acetylcholinesterase: Cation–π interactions. Issue 1 (January 2016) Authors: Pathak, Arup Kumar; Bandyopadhyay, Tusar Other Names: McCammon J. sponsoringEditor.; Andrew McCammon J. guestEditor. Journal: Biopolymers Issue: Volume 105:Issue 1(2016) Page Start: 10 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗