4. Paras M. Agrawal and M. P. Saksena, Rotational relaxation in mixtures of hydrogen isotopes with noble gases, J. Phys. (U.K.) B8, 1575 (1975).

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1 Research papers. 1. M. P. Saksena, Paras M. Agrawal, and Harminder, Distribtion of relaxation times and ultrasonic absorption in ammonia, Indian J. Pure & Applied Physics 11, 563 (1973). 2. Paras M. Agrawal and M. P. Saksena, Rotational relaxation in polar gases, J. Chem. Phys. 61, 848 (1974). 3. Paras M. Agrawal and M. P. Saksena, Rotational relaxation in H2 and D2 due to collisions with noble gas atoms, Chem. Phys. Lett. 32, 123 (1975). 4. Paras M. Agrawal and M. P. Saksena, Rotational relaxation in mixtures of hydrogen isotopes with noble gases, J. Phys. (U.K.) B8, 1575 (1975). 5. Paras M. Agrawal and M. P. Saksena, Rotational relaxation in HD-inert gas mixtures, J. Chem. Phys. 65, 550 (1976). 6. Paras M. Agrawal and L. M. Raff, Consideration of the exit channel velocity effect upon inelastic cross sections computed by the infinite- order-sudden approximation, J. Chem. Phys. 74, 3292 (1981). 7. Paras M. Agrawal and L. M. Raff, Calculation of reaction probabilities and rate coefficients for collinear three-body exchange reaction using time-dependent wave packet methods, J. Chem. Phys. 74, 5076 (1981). 8. Paras M. Agrawal and L. M. Raff, IOSA investigations of the effects of potential surface topography upon elastic and inelastic scattering and rotational relaxation in the (He, CO2) system, J. Chem. Phys. 75, 2163 (1981). 9. R. Viswanathan, Paras M. Agrawal and L. M. Raff, Comparison of modified infinite order sudden theory with the experimentally measured state-to-state cross sections for R-T energy transfer in Ar-HF, J. Chem. Phys. 75, 3860 (1981). 10. Paras M. Agrawal and L. M. Raff, A semiclassical wavepacket model for the investigation of elastic and inelastic gassurface scattering, J. Chem. Phys. 77, 3946 (1982). 1

2 11. Paras M. Agrawal, N. C. Agrawal, R. Viswanathan and L. M. Raff, Rate calculations from timedependent wavepacket methods: The relationship of the pure state and canonical total reaction probability, J. Chem. Phys. 80, 760 (1984). 12. Paras M. Agrawal, V. Mohan and N. Sathyamurthy, Time-dependent wave mechanical study of the wings to the Lyman- á line in atomic hydrogen + molecular hydrogen reactive collisions, Chem. Phys. Lett. 114, 343 (1985). 13. Paras M. Agrawal and N. C. Agrawal, Rotational energy transfer in the rigid rotor CO2-Ar system and the energy dependence of the parameters of the power-gap law, Chem. Phys. Let. 117, 451 (1985). 14. Paras M. Agrawal and N. C. Agrawal, Integral inelastic cross sections for the rotational energy transfer in CO2-Ar system, Current Science (India) 54, 689 (1985). 15. Paras M. Agrawal, N. C. Agrawal and Vinod Garg, Power-gap law and the dynamical constraints on the angular momentum transfer in rotationally inelastic molecular collisions, Chem. Phys. Let. 118, 213, (1985). 16. C. B. Smith, L. M. Raff and Paras M. Agrawal, Semiclassical wavepacket studies of elastic and inelastic atom-surface scattering from a 3D model surface, J. Chem. Phys. 83, 1411 (1985). 17. Paras M. Agrawal, N. C. Agrawal and V. Garg, Dynamical constraints on the angular momentum transfer in rotationally inelastic molecular collisions, J. Chem. Phys. 83, 4444 (1985). 18. Paras M. Agrawal and Vinod Garg, Rotational energy transfer in CO2-He system and the two parameter power-gap model, Indian J. Pure & Applied Physics 23, 392 (1985). 19. Paras M. Agrawal and V. Garg, On the validity of the power-gap law and the exponential-gap law for rotational energy transfer in CO2-He system, Acta Physica Polonica A69, 103 (1986). 2

3 20. Paras M. Agrawal and N. C. Agrawal, Dynamical constraints on the angular momentum transfer between polar molecules, Chem. Phys. Let. 122, 37 (1985). 21. Paras M. Agrawal, L. M. Raff, and D. L. Thompson, Effect of the lattice model on the dynamics of dissociative chemisorption of H2 on a Si(111) surface, Surface Science 188, 402 (1987). 22. M. Jezercak, Paras M. Agrawal, C. B. Smith and L. M. Raff, Wave packet studies of gas-surface inelastic scattering and desorption rates, J. Chem. Phys. 88, 1264 (1988). 23. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Computational Studies of Heterogeneous Reactions of SiH2 on Si(111) surfaces, Surface Science 195, 283 (1988). 24. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Computational studies of SiH2 + SiH2 recombination reaction dynamics on a global potential surface fitted to ab initio and experimental data, J. Chem. Phys. 88, 5948 (1988). 25. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Trajectory studies of unimolecular reactions of Si2H4 and SiH2 on a global potential surface fitted to ab initio and experimental data, J. Chem. Phys. 89, 741 (1988). 26. M. Jezercak, Paras M. Agrawal, D. L. Thompson and L. M. Raff, A perturbation-trajectory method for the study of gas-surface collision dynamics, J. chem. Phys. 90, 3363 (1989). 27. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Computational studies of heterogeneous reactions of SiH2 on reconstructed Si(111)-(7x7) and Si(111)-(1x1) surfaces, J. Chem. Phys. 91, 5021 (1989). 28. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Variational phase-space theory studies of Siliconatom diffusion on reconstructed Si(111)-(7x7) surfaces, J. Chem. Phys. 91, 6463 (1989). 29. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Unimolecular dissociation dynamics of disilane, J. Chem. Phys. 92, 1069(1990). 3

4 30. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Comparison of silicon-atom diffusion on the dimer-adatom-stacking fault and Binning et al. Models of the reconstructed Si(111)-(7x7) surface, J. Chem. Phys. 94, 6243 (1991). 31. Paras M. Agrawal and Vinod Gard, The dependence of rotationally inelastic cross sections on the parameters of the potential, Current Science 61, 43 (1991). 32. Paras M. Agrawal, V. Garg, and K. R. Patidar, Rotationally inelastic cross-sections and parameters of the potential energy surface, Indian Journal of Pure and Applied Physics 31, 187(1993). 33. Paras M. Agrawal V. Garg, and K. R. Patidar, Rotationally inelastic cross sections and the parameters of the potential, Chem. Phys. Let. 208, 204 (1993). 34. Paras M. Agrawal, V. Garg, and K. R. Patidar, Potential parameters and energy dependence of rotational energy transfer in molecular systems, Acta Physica Polonica 84, 247 (1993). 35. Paras M. Agrawal, K. R. Patidar, and N. K. Dabkara, Potential energy surface for NO-He system from the state-to-state rate coefficients, Indian Journal of Pure and Applied Physics 32, 750 (1994). 36. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Theoretical investigation of nonstatistical dynamics, energy transfer, and intramolecular vibrational relaxation in isomerization reactions of matrixisolated HONO/Xe, J. Chem. Phys 101, 9937(1994). 37. Paras M. Agrawal, D. L. Thompson and L. M. Raff, Theoretical studies of the effects of matrix composition, lattice temperature, and isotopic substitution on isomerization reactions of matrix-isolated HONO/Ar, J. Chem. Phys. 102, 7000 (1995). 38. Paras M. Agrawal, D. C. Sorescu, L. M. Raff, and S. A. Abrash, Theoretical investigations of vinyl bromide dissociation in Xe and Kr matrices, J. Phys. Chem., 99, (1995). 39. Paras M. Agrawal, D. C. Sorescu, R. D. Kay, D. L. Thompson, L. M. Raff, J. B. Conrey and A. K. Jameson, Spectral line shapes in systems undergoing continuous frequency modulation, 4

5 J. Chem. Phys. 105, 2686 (1996). 40. Paras M. Agrawal, N. K. Dabkara, and S. Tilwankar, Rotational energy transfer in NO-Ar system and the validity of different forms of the potential, Chem. Phys. Let. 266, 481 (1997). 41. Paras M. Agrawal, N. K. Dabkara, and S. Tilwankar, Rotational energy transfer in NO-Ar system and the validity of the pairwise sum of the potential, Indian Journal of Pure and Applied Physics 35, 299 (1997). 42. Paras M. Agrawal, S. Tilwankar, and N. K. Dabkara, The hard ellipsoid potential model and the limit of rotational energy transfer in molecular collisions, J. Chem. Phys. 108, 4854 (1998). 43. Paras M. Agrawal and S. Tilwankar, Rotational energy transfer in molecular collisions and parameters of power-gap law, Acta Physica Polonica A93, 451 (1998). 44. N. K. Dabkara and Paras M. Agrawal, The maximum limit of rotational energy transfer in collisions of N2 with Ne and the power-gap law, Chem. Phys. Let. 299, 125 (1999). 45. Paras M. Agrawal, D. C. Sorescu, B. M. Rice and D. L. Thompson, A model for predicting the solubility of RDX in supercritical CO2: Isothermal- Isobaric Monte Carlo simulations, Fluid Phase Equilibria 155, 177 (1999). 46. Paras M. Agrawal, B. M. Rice, D. C. Sorescu, and D. L. Thompson, NPT-MC simulations of enhanced solubility of RDX in polar-modified supercritical CO2, Fluid Phase Equilibria 166, 1 (1999). 47. Paras M. Agrawal, B. M. Rice, D. C. Sorescu, and D. L. Thompson, Models for predicting solubilities of trinitrotluene (TNT) and 1,3,5-trinitro- 1,3,5-s-triazine (RDX) in supercritical CO2: isothermalisobaric Monte Carlo simulations, Fluid Phase Equilibria , 139 (2001). 48. Seong K. Kim, J. M. White, Paras M. Agrawal and D. L. Thompson, J. Chem. Phys. 115, 7657 (2001). 5

6 49. Paras M. Agrawal, B. M. Rice, and D. L. Thompson, Predicting trends in rate parameters for selfdiffusion on FCC metal surfaces, Surface Science 515, 21 (2002). 50. Paras M. Agrawal, Betsy M. Rice and Donald L. Thompson, Molecular Dynamics Study on the Effects of Voids and Pressure in Defect- Nucleated Melting Simulations, J. Chem. Phys. 118, (2003). 51. Paras M. Agrawal, Betsy M. Rice and Donald L. Thompson, Molecular Dynamics Study of the Melting of Nitromethane, J. Chem. Phys., 119, (2003). 6