Publications
I. Review Article and Perspectives:
1. “Chemical Dynamics Simulations of Energy Transfer, Surface-Induced Dissociation, Soft-Landing, and Reactive-Landing in Collisions of Protonated Peptide Ions with Organic Surfaces”, S. Pratihar, G. L. Barnes, and W. L. Hase, (2016) Chem. Soc. Rev. DOI: 10.1039/C5CS00482A [Impact factor: 33.38] (Accepted for cover page)
2. "Direct Chemical Dynamics Simulations", S. Pratihar, X. Ma, Z. Homayoon, G. L. Barnes, and W. L. Hase (2017) J. Am. Chem. Soc. 2017, 139 (10), pp 3570–3590
II. Book Chapter:
3. “Computation of intrinsic RRKM and non-RRKM unimolecular rate constants" A. K. Paul, S. Kolakkandy, S. Pratihar and W. L. Hase, in Reaction rate constant computations: Theories and applications, Ed. K. Han RSC Publishing, UK 2013.
III. Research Articles:
4. "Model Simulations of the Thermal Dissociation of the TIK(H)2+ Tripeptide. Mechanisms and Kinetic Parameters"; (2016) Z. Homayoon, S. Pratihar, Dratz, Edward; Snider, Ross; Spezia, Riccardo; Barnes, George; Macaluso, Veronica; Martin Somer, Ana; Hase, William, J. Phys. Chem A (Accepted)
5. "Dynamics of Protonated Peptide Ion Collisions with Organic Surfaces: Consonance of Simulation and Experiment"; (2016) S. Pratihar, G. L. Barnes, J. Laskin, W. L. Hase, J. Phys Chem Lett. 7, 3142 DOI: 10.1021/acs.jpclett.6b00978
6. "Unimolecular dissociation of peptides: Statistical vs non-statistical fragmentation mechanisms and time scales"; (2016) R. Spezia, A. M-Somer, V. Macaluso, Z. Homayoon, S. Pratihar, and W. L. Hase, Faraday Dscussions, DOI: 10.1039/C6FD00126B
7. "Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions; (2016)H. Kim, A. K. Paul, S. Pratihar, W. L. Hase, J. Phys. Chem. A (accepted with minor revisions).
8. Mechanistic details of energy transfer and soft landing in ala2-H+ in F-SAM surface collisions; (2015) S. Pratihar, N. Kim, S. C. Kohale, and W. L. Hase, Phys Chem Chem Phys (DOI: 10.1039/c5cp03214h) (Impact factor: 4.19; ISSN: 1463-9076) [Accepted for cover (back) page]
9. Energy and temperature dependent dissociation of the Na+(Benzene)1,2 clusters. Importance of anharmonicity. (2015) S. Kolakkandy, A. K. Paul, S. Pratihar, S. C. Kohale, G. L. Barnes, H. Wang, and W. L. Hase, J. Chem. Phys. 142, 044306 (Impact factor: 3.122; ISSN: 1089-5639)
10. Dynamics of energy transfer and soft-landing in collisions of protonated dialanine with perfluorinated self-assembled monolayer surfaces, (2014) S. Pratihar, S. C. Kohale, D.G. Bhakta, J. Laskin, and W.L. Hase, Phys. Chem. Chem. Phys. 16, 23769 (Impact factor: 4.19; ISSN: 1463-9076)
11. An intermolecular potential for binding of protonated peptide ions with per fluorinated hydrocarbon surfaces, (2014) S. Pratihar, S. C. Kohale, S. A. Vazquez, and W. L. Hase, J. Phys. Chem. B 118, 5577 (Impact factor: 3.377; ISSN: 1520-6106)
12. An ab initio molecular dynamics study of electron hydration dynamics in water hexamer cluster at a finite temperature, (2014) S. Pratihar and A. Chandra, Proc. Ind. Natl. Sc. Acad. 80, 1073 (Impact factor: 0.49; ISSN: 0369-8203)
13. Properties of complexes formed by Na+, Mg2+, and Fe2+ binding with benzene molecules, (2014) S. Kolakkandy, S. Pratihar, A. J. A. Aquino, H. Wang, and W. L. Hase, J. Phys. Chem. A 118, 9500 (Impact factor: 2.775; ISSN: 1089-5639)
14. A unified model for simulating liquid and gas phase, intermolecular energy transfer: N2 + C6F6 collisions, (2014) A. K. Paul, S. C. Kohale, S. Pratihar, R. Sun, S. W. North, and W. L. Hase, J. Chem. Phys 140, 194103 (Impact factor: 3.122; ISSN: 0021-9606)
15. Chemical dynamics energy of high energy xenon atom collisions with the {0001} surface of hexagonal ice, (2013) S. Pratihar, S. C. Kohale, L. Yang, P. Manikandan, K. D. Gibson, D. R. Killiea, H. Yuan, S. J. Sibener, and W. L. Hase, J. Phys. Chem. C 117, 2183. (Article featured in: Energy Weekly News, ISSN 1945-6999, 03/29/2013, p. 1785) (Impact factor: 4.835; ISSN: 1932-7447)
16. Scattering of high incident energy Kr and Xe from ice: Evidence that a major channel involves penetration into the bulk, (2012) K. D. Gibson, D. R. Killelea, H. Yuan, J. S. Becker, S. Pratihar, P. Manikandan, W. L. Hase, and S. J. Sibener, J. Phys. Chem. C 116, 14264. (Article featured in Vertical news Aug 17, 2012; http://energy.verticalnews.com/articles/7376219.html) (Impact factor: 4.835; ISSN: 1932-7447)
17. A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: Structural, electronic and dynamical properties, (2011) S. Pratihar and A. Chandra, J. Chem. Phys. 134, 024519. (Article featured in - Chemicals & Chemistry, ISSN 1944-1517, 04/22/2011, p. 2131) (Impact factor: 3.122; ISSN: 0021-9606)
18. A first principles molecular dynamics study of excess electron and lithium atom solvation in water-ammonia clusters: Structural, spectral and dynamical behavior of [(H2O)5NH3]-and Li(H2O)5NH3 at finite temperature, (2011) S. Pratihar and A. Chandra, J. Chem Phys. 134, 034302. (Article featured in – 1. Vertical news, March4, 2011; http://www.verticalnews.com/premium_newsletters/Chemicals-and-Chemistry/2011 0304/4568CH.html; 2. Chemicals & Chemistry, ISSN 994-1517, 03/04/2011, pp618) (Impact factor: 3.122; ISSN: 0021-9606)
19. Excess electron and lithium atom solvation in water clusters at finite temperature: An ab initio molecular dynamics study of the structural, spectral and dynamical behaviour of (H2O)6- and Li(H2O)6 mixed clusters: Solvent coordination and electron localization in presence of a counterion, (2010) S. Pratihar and A. Chandra, J. Phys. Chem. A 114, 11869 (Impact factor: 2.775; ISSN: 1089-5639)
20. Microscopic solvation of a lithium atom in water- ammonia mixed clusters: Solvent coordination and electron localization in presence of a counterion, (2008) S. Pratihar and A. Chandra, J. Chem. Phys. 129, 024511. (Impact factor: 3.122; ISSN: 0021-9606)
21. Electron solvation in water-ammonia mixed clusters: Structure, energetics and the nature of localization states of the excess electron, (2007) S. Pratihar and A. Chandra, J. Chem. Phys. 126, 234510. (Impact factor: 3.122; ISSN: 0021-9606)
22. Quantum simulations of water cluster anions: Electron solvation and hydrogen bonds, (2006) S. Pratihar and A. Chandra, IANCAS Bulletin on Computational methods in Chemistry V(4), 262-266.