Department of Chemistry
Journal Articles

  1. J. L. Nolte, B. H. Yang, P. C. Stancil, T.-G. Lee, N. Balakrishnan, R. C. Forrey, and A. Dalgarno, Isotope effects in complex scattering lengths for He collisions with molecular hydrogen, Phys. Rev. A (submitted).

  2. N. Balakrishnan, Bradley C. Hubartt, L. Ohlinger, and R. C. Forrey, Noble gas quenching of rovibrationally excited H2, Phys. Rev. A 80, 012704 (2009).

  3. T. J. Dhilip Kumar, P. Tarakeshwar, and N. Balakrishnan, Geometric and Electronic Structures of Hydrogenated Transition Metal (M = Sc, Ti, Zr) clusters, Phys. Rev. B 79, 205415 (2009).

  4. G. Quemener, N. Balakrishnan, and B. Kendrick, Formation of molecular oxygen in ultracold O+OH collisions, Phys. Rev. A 79, 022703 (2009).

  5. P. Tarakeshwar, T. J. Dhilip Kumar, and N. Balakrishnan, Hydrogen multicenter bonds and reversible hydrogen storage, J. Chem. Phys. 130, 114301 (2009).

  6. G. Quemener and N. Balakrishnan, Quantum calculations of H2-H2 collisions: from ultracold to thermal energies, J. Chem. Phys. 130, 114303 (2009) .

  7. G. Quemener, N. Balakrishnan, and B. Kendrick, Quantum dynamics of the O+OH-->H+O2 reaction at low energies, J. Chem. Phys. 129, 224309 (2008) .

  8. T.-G. Lee, N. Balakrishnan, R. C. Forrey, P. C. Stancil, G. Shaw, D. R. Schultz, and G. J. Ferland, Rotational quenching rate coefficients for H2 in collisions with H2 from 2 to 10000 K, Astrophysical Journal 689, 1105 (2008).

  9. P. F. Weck, E. Kim, S. Lepp, N. Balakrishnan, and H. R. Sadeghpour, Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface, Physical Chemistry and Chemical Physics, 10, 5184 (2008) (cover article) .

  10. G. Quemener and N. Balakrishnan, Cold and ultracold chemical reactions of F+HCl and F+DCl reactions, , J. Chem. Phys. 128, 224304 (2008) .

  11. T. J. Dhilip Kumar, P. Tarakeshwar, and N. Balakrishnan, Structural, energetic and electronic properties of hydrogenated titanium clusters, J. Chem. Phys. 128, 194714 (2008) .

  12. G. Quemener, N. Balakrishnan, and R. V. Krems, Vibrational energy transfer in ultracold molecule-molecule collisions, Phys. Rev. A 77, 030704(R) (2008) (Rapid Communication) .

  13. P. Tarakeshwar, T. J. Dhilip Kumar, and N. Balakrishnan, Nature of hydrogen interaction and saturation on small Titanium clusters, J. Phys. Chem. A 112, 2846 (2008) .

  14. T. J. Dhilip Kumar, C. Zhou, H. Cheng, R. C. Forrey, and N. Balakrishnan, Effect of Co doping on the catalytic activity of small Pt clusters, , J. Chem. Phys. 128, 124704 (2008) .

  15. E. Kim, P. F. Weck, N. Balakrishnan, and C. Bae, Nanoscale building blocks for the development of novel proton-exchange membrane for fuel cells, J. Phys. Chem. B 112, 3283 (2008) (Cover page, March 20, 2008 issue) .

  16. B. C. Shepler, B. H. Yang, T. J. Dhilip Kumar, P. C. Stancil, J. M. Bowman, N. Balakrishnan, P. Zhang, E. Bodo, and A. Dalgarno, Low energy H+CO scattering revisited: CO rotational excitation with new potential surfaces, Astronomy & Astrophysics, 475, L15 (2007).

  17. P. F. Weck, E. Kim, N. Balakrishnan, F.Poineau, C. B. Yeamans, and K. R. Czerwinski, First-principles study of single-crystal uranium mono- and dintride, Chem. Phys. Lett. 443, 82 (2007).

  18. C. Zhou, J. Wu, T. J. Dhilip Kumar, N. Balakrishnan, R. C. Forrey, and H. Hansong, The growth pathway of Pt clusters on a-Al2O3 surface, J. Phys. Chem. C 111, 13786 (2007).

  19. T. J. Dhilip Kumar, P. F. Weck and N. Balakrishnan, Evolution of small Ti clusters and dissociative chemisorption of H2 on Ti, J. Phys. Chem. C 111, 7494 (2007).

  20. P. F. Weck, E. Kim, N. Balakrishnan, H. Cheng, and B. I. Yakobson, Designing carbon nanoframeworks tailored for hydrogen storage, Chem. Phys. Lett. 439, 354 (2007).

  21. P. F. Weck, T. J. Dhilip Kumar, E. Kim, and N. Balakrishnan, Computational study of hydrogen storage in organometallic compounds, J. Chem. Phys. 126, 094703 (2007).

  22. C. Zhou, C. Luo, J. Wu, T. J. Dhilip Kumar, N. Balakrishnan, R. C. Forrey, and H. Hansong, First principles study of small palladium cluster growth and isomerization, Int. J. Quan. Chem. 107, 1632 (2007).

  23. A. Mack, T. K. Clark, R. C. Forrey, N. Balakrishnan, T.-G. Lee, and P. C. Stancil, Cold He+H2 collisions, Phys. Rev. A 74, 052718 (2006).

  24. T.-G. Lee, N. Balakrishnan, R. C. Forrey, P. C. Stancil, D. R. Schultz, and G. J. Ferland, State-to-state rotational transitions in H2+H2 collisions at low temperatures, J. Chem. Phys. 125, 114302 (2006).

  25. B. Yang, H. Perera, N. Balakrishnan, R. C. Forrey, and P. C. Stancil, Quenching of rotationally excited CO in cold and ultracold collisions with H, He and H2, J. Phys. B: At. Mol. Opt. Phys. 39, S1229 (2006)

  26. P. F. Weck and N. Balakrishnan, Dynamics of chemical reactions at cold and ultracold temperatures, J. Phys. B: At. Mol. Opt. Phys. 39, S1215 (2006)

  27. R. A. Sultanov and N. Balakrishnan, Quantum mechanical investigations of the N(4S)+O2---> NO+O reaction, J. Chem. Phys. 124 , 124321 (2006)

  28. B. Yang, P. C. Stancil, N. Balakrishnan, and R. C. Forrey, Quenching of rotationally excited CO by collisions with H2, J. Chem. Phys. 124 , 104304 (2006)

  29. P. F. Weck, N. Balakrishnan, J. Brandao, C. Rosa, and W. Wang, Dynamics of the O(3P)+H2 reaction at low temperatures: Comparison of quasiclassical trajectory with quantum scattering calculations, J. Chem. Phys. 124, 074308 (2006)

  30. P. F. Weck and N. Balakrishnan, Reactivity enhancement of ultracold O(3P)+H2 collisions by van der Waals interactions, J. Chem. Phys. 123, 144308 (2005)

  31. Close-coupling study of rotational energy transfer of CO(v=2) by collisions with He atoms, B. Yang, P. C. Stancil, N. Balakrishnan, and R. C. Forrey, J. Chem. Phys. 123, 134326 (2005)

  32. B. Yang, P. C. Stancil, and N. Balakrishnan, A close-coupling study of vibrational-rotational quenching of CO by collision with hydrogen atoms, J. Chem. Phys. 123, 094308 (2005)

  33. R. A. Sultanov and N. Balakrishnan, Oxygen chemistry in the interstellar medium: the effect of vibrational excitation of H2 in O(3P)+H2 reaction, Astrophysical Journal 629, 305 (2005).

  34. P. F. Weck and N. Balakrishnan, Heavy atom tunneling in chemical reactions: study of H+LiF collisions, J. Chem. Phys. 122, 234310 (2005).

  35. P. F. Weck and N. Balakrishnan, Quantum Dynamics of the Li+HF---> H+LiF reaction at ultralow temperatures J. Chem. Phys. 122, 154309 (2005).

  36. B. Hadji-Hosseini, H. R. Sadeghpour, and N. Balakrishnan, Control of polarized iodine atom branching ratio in the photodissociation of NaI, Phys. Rev. A 71, 023402 (2005).

  37. T.-G. Lee, C. Rochow, R. Martin, T. K. Clark, R. C. Forrey, N. Balakrishnan, P. C. Stancil, D. R. Schultz, A. Dalgarno, and G. J. Ferland, Close-coupling calculations of low-energy inelastic and elastic processes in 4He collisions with H2: A comparative study of two potential energy surfaces, J. Chem. Phys. 122, 024307 (2005)

  38. Nyamsuren Uudus, Shino Magaki, and N. Balakrishnan, Quantum mechanical investigation of ro-vibrational relaxation of H2 and D2 by collisions with Ar atoms, J. Chem. Phys. 122, 024304 (2005)

  39. Renat A. Sultanov and N. Balakrishnan, Isotope branching and tunneling in O(3P)+HD---> OH+D; OD+H reactions, J. Chem. Phys. 121, 11038 (2004).

  40. P. F. Weck and N. Balakrishnan, Chemical reactivity of ultracold polar molecules: investigation of H+HCl and H+DCl collisions, Euro. Phys. J. D 31, 417 (2004).

  41. N. Balakrishnan, On the role of van der Waals interaction in chemical reactions at low temperatures, J. Chem. Phys. 121, 5563 (2004).

  42. N. Balakrishnan, Quantum calculations of the O(3P)+H2 reaction, J. Chem. Phys. 121, 6346 (2004) .

  43. R. A. Sultanov and N. Balakrishnan, Quantum scattering calculations of the H+O2--> O+OH reaction, J. Phys. Chem. A 108, 8759 (2004).

  44. E. Bodo, F. A. Gianturco, N. Balakrishnan, and A. Dalgarno, Chemical reactions in the limit of zero kinetic energy: virtual states and Ramsauer minima in F+H2--> HF+H, J. Phys. B: At. Mol. Opt. Phys. 37, 3641 (2004).

  45. N. Balakrishnan, On the role of vibrationally excited H2 as a source of OH in the mesosphere, Geophys. Res. Lett. 31, L04106 (2004).

  46. G. Jolicard, O. Atabek, M. L. Dubernet-Tuckey, and N. Balakrishnan, Nonadiabatic response to short, intense laser pulses: A wave operator generalized Floquet approach, J. Phys. B:At. Mol. Opt.Phys. 36, 2777 (2003).

  47. N. Balakrishnan and G. C. Groenenboom, Spin-flipping transitions in 2Sigma diatomic molecules induced by collisions with structureless atoms, Phys. Rev. A 67, 060703(R) (2003).

  48. N. Balakrishnan Quantum Mechanical investigation of the O + H2 --> OH + H reaction, J. Chem. Phys.119,195 (2003).

  49. N. Balakrishnan and A. Dalgarno On the isotope effect in F+HD reaction at ultracold temperatures, J. Phys. Chem. A 107, 7101 (2003).

  50. G. C. Groenenboom and N. Balakrishnan, The He-CaH(2Sigma) interaction: I. three-dimensional ab initio potential energy surface, J. Chem. Phys. 118, 7380 (2003).

  51. N. Balakrishnan, G. C. Groenenboom, R. V. Krems, and A. Dalgarno, The He-CaH(2Sigma) interaction: II. Collisions at cold and ultracold temperatures, J. Chem. Phys. 118,7386 (2003).

  52. N. Balakrishnan and A. Dalgarno, Nitric oxide production in collisions of hot O(3P) atoms with N2, J. Geophys. Res. 108, 1065 (2003) .

  53. C. Zhu, R. Krems, A. Dalgarno, and N. Balakrishnan, Chemistry of hydrogen fluoride in the interstellar medium, Astrophys. J. 577, 795 (2002).

  54. C. Cecchi-Pestellini, E. Bodo, N. Balakrishnan, and A. Dalgarno, Rotational and vibrational relaxation of CO molecules by collisions with 4He atoms,Astrophysics. J. 571, 1015 (2002).

  55. N. Balakrishnan, M. Yan, and A. Dalgarno
    Quantum mechanical study of rotational and vibrational transitions in CO induced by H atoms, Astrophys. J. 568, 443 (2002).

  56. N. Balakrishnan and A. Dalgarno, Chemistry at ultracold temperatures, Chem. Phys. Lett. 341, 652 (2001);Erratum 351, 159 (2002).

  57. C. Zhu, N. Balakrishnan, A. Dalgarno, Vibrational relaxation of CO in ultracold 3He collisions, J. Chem. Phys. 115, 1335 (2001).

  58. N. Balakrishnan, A. B. Alekseyev, and R. J. Buenker, Ab initio quantum mechanical investigation of the photodissociation of HI and DI, Chem. Phys. Lett. {\bf 341}, 594 (2001)

  59. R. C. Forrey, N. Balakrishnan, A. Dalgarno, M. R. Haggerty, and E. J. Heller, The effect of quasiresonant dynamics on the predissociation of van der Waals molecules, Phys. Rev. A 64, 022706 (2001).

  60. N. Balakrishnan and A. Dalgarno, On the quenching of rovibrationally excited molecular oxygen at ultracold temperatures, J. Phys. Chem. 105, 2348 (2001).

  61. B. Ramachandran, N. Balakrishnan, and A. Dalgarno, Vibrational-rotational distributions of NO formed from N + O2 reactive collisions, Chem. Phys. Lett. 332, 562 (2000).

  62. N. Balakrishnan, A. Dalgarno, and R. C. Forrey
    Vibrational relaxation of CO by 4He at ultralow temperatures, J. Chem. Phys. 113, 621 (2000).

  63. A. Alekseyev, H.-P. Liebermann, R. J. Buenker, N. Balakrishnan, H. R. Sadeghpour, S. T. Cornett and M. J. Cavagnero, Spin-orbit effects in photodissociation of Sodium Iodide, J. Chem. Phys. 113,1514 (2000).

  64. N. Balakrishnan, E. Sergueeva, V. Kharchenko, and A. Dalagarno,
    Kinetics and thermalization of hot N atoms in the atmosphere, J. Geophys. Res. 105, 18549 (2000) .

  65. N. Balakrishnan, M. Jameison, A. Dalgarno, Y. Li, and R. J. Buenker,
    Time-dependent quantum mechanical study of photodissociation of molecular oxygen in the Schumann-Runge continuum, J. Chem. Phys. 112, 1255 (2000).

  66. R. C. Forrey, N. Balakrishnan, A. Dalgarno, M. R. Haggerty, and E. J. Heller
    Quasiresonant energy transfer in ultracold atom-diatom collisions, Phys. Rev. Lett. 82, 2657 (1999).

  67. N. Balakrishnan, B. D. Esry and H. R. Sadeghpour,S. T. Cornett and M.J.Cavagnero, Quantum wave packet dynamics of the photodissociation of LiF, Phys. Rev. A 60, 1407 (1999).

  68. N. Balakrishnan and A. Dalgarno, Rate coefficients for NO formation in energetic N+O2 collisions, Chem. Phys. Lett. 302, 485 (1999).

  69. N. Balakrishnan, V. Kharchenko, and A. Dalgarno, Translational energy relaxation of hot O(1D) atoms, J. Phys. Chem. 103, 3999 (1999).

  70. R. C. Forrey, V. Kharchenko, N. Balakrishnan, and A. Dalgarno, Vibrational relaxation of trapped molecules, Phys. Rev. A 59, 2146 (1999).

  71. N. Balakrishnan, M. Vieira, J.F. Babb, A. Dalgarno, R. C. Forrey, and S. Lepp, Rate coefficients for rovibrational transitions in H2 due to collisions with He, Astrophys. J. 524, 1122 (1999).

  72. N. Balakrishnan, R. C. Forrey and A. Dalgarno
    Quantum mechanical study of ro-vibrational transitions in H2 induced by He atoms , Astrophys. J. 514, 520 (1999).

  73. N. Balakrishnan, R.C. Forrey and A. Dalgarno, Quenching of H2 vibrations in ultracold 3He and 4He collisions , Phys. Rev. Lett. 80, 3224 (1998).

  74. N. Balakrishnan, A. Dalgarno and G. D. Billing, Multiquantum vibrational transitions in O2(v > 25) + O2(v=0) collisions, Chem. Phys. Lett., 288, 657 (1998).

  75. N. Balakrishnan, V. Kharchenko and A. Dalgarno, Quantum mechanical and semiclassical studies of N+N2 collisions and their application to thermalization of fast N atoms, J. Chem. Phys. 108, 943 (1998).

  76. N. Balakrishnan, V. Kharchenko and A. Dalgarno, Slowing of energetic O(3p) atoms in collisions with N2, J. Geophys. Res. 103, 23393 (1998) .

  77. R. C. Forrey, N. Balakrishnan, V. Kharchenko and A. Dalgarno, Feshbach resonances in ultracold atom-diatom scattering, Phys. Rev. A 58, R2645 (1998).

  78. V. Kharchenko, N. Balakrishnan and A. Dalgarno, Thermalization of fast nitrogen atoms in elastic and inelastic collisions with molecules of atmospheric gases, J. Atmos. Sol-Terr. Phys. 60, 95 (1998).

  79. N. Balakrishnan, R. C. Forrey and A. Dalgarno, Threshold phenomena in ultracold atom-molecule collisions, Chem. Phys. Lett. 280, 1 (1997).

  80. N. Balakrishnan, V. Kharchenko, R. C. Forrey and A. Dalgarno, Complex scattering lengths in multi-channel atom-molecule collisions, Chem. Phys. Lett. 280 , 5 (1997).

  81. R. C. Forrey, N. Balakrishnan and A. Dalgarno, and S. Lepp, Quantum mechanical calculations of rotational transitions in H-H2 Collisions, Astrophys. J. 489, 1000 (1997).

  82. G. Jolicard and N. Balakrishnan, The solution of the time-dependent Schrodinger equation by the (t,t') method using the wave operator procedure: theory and application to molecular photodissociation with ultrashort laser pulses, J. Chem. Phys. 106, 3613 (1997).

  83. N. Balakrishnan and G. D. Billing, Quantum-classical reaction path study of the reaction O(3P)+O3(1A1)---> 2O2, J. Chem. Phys. 104, 9482 (1996).

  84. N. Balakrishnan and G. D. Billing, Semiclassical wave packet study of V-V energy transfer in highly vibrationally excited CO molecules, Chem. Phys. 204, 77 (1996).

  85. N. Balakrishnan and G. D. Billing, A Quantum-classical Study of the reaction CO(v1,j1)+OH(v2,j2) --->CO2+H, J. Chem. Phys. 104, 4005 (1996).

  86. N. Balakrishnan and G. D. Billing, Variational transition state rate constants for the reaction O(3P)+ O3(1A1)---> 2O2, Chem. Phys. Lett. 242, 68 (1995).

  87. N. Balakrishnan and N. Sathyamurthy, Time-dependent wavepacket study of the collinear reaction He+H2+---> HeH++ H, Chem. Phys. Lett. 240, 119 (1995).

  88. N. Balakrishnan and G. D. Billing, A mixed quantal / classical study of the reaction OH+H2(v)---> H2O+H, Chem. Phys. Lett. 233, 145 (1995).

  89. N. Balakrishnan and G. D. Billing, Three-dimensional wavepacket study of the reaction OH+H2(v)--->H2O+H: a mixed quantal / classical approach, Chem. Phys. 189, 499 (1994).

  90. N. Balakrishnan and G. D. Billing, Integral cross sections and rate constants for the reaction OH + H2--->H2O+H: A semiclassical wavepacket approach, J. Chem. Phys. 101, 2785 (1994).

  91. N. Balakrishnan and G. D. Billing, Three-dimensional wavepacket studies of ozone photodissociation in the Hartley band: Converged autocorrelation functions and absorption spectra, J. Chem. Phys. 101, 2968 (1994).

  92. Balakrishnan and N. Sathyamurthy, Three-dimensional time-dependent quantum mechanical study of the reaction He+H2+---> HeH+ +H Proc. Ind. Acad. Sci. (Chem. Sci.) 106, 531 (1994).

  93. N. Balakrishnan and N. Sathyamurthy, Resonances in collinear (He, H2+) collisions: A time-dependent quantum mechanical study, Chem. Phys. Lett. 201, 294 (1993).

  94. N. Balakrishnan and N. Sathyamurthy, Time-dependent wavepacket methods for the calculation of collinear atom-diatom exchange reaction probabilities, Comput. Phys. Commun. 63, 209 (1991).

  95. N. Balakrishnan and N. Sathyamurthy, Maximization of entropy during a chemical reaction, Chem. Phys. Lett. 164, 267 (1989).
Articles in Books
  1. N. Balakrishnan, Collisions and reactions in ultracold gases, in Book of Proceedings of Dalgarno Celebratory Symposium, eds. James Babb, Kate Kirby, and Hossein Sadeghpour (World Scientific, 2009).

  2. G. Quemener, N. Balakrishnan, and A. Dalgarno, Inelastic collisions and chemical reactions of molecules at ultracold temperatures, in Cold Molecules: Theory, Experiment and Applications, editors Roman Krems, John Doyle, Bretislav Friedrich, and William Stwalley (CRC Press, 2009).

  3. N. Balakrishnan, Chemistry at ultracold temperatures, in Photonic, Electronic and Atomic Collisions, Burgdorfer et al. (editors), pp. 604-615, Rinton Press (2002).

  4. G. D. Billing, N. Balakrishnan, and N. Markovic
    Application of semiclassical dynamics for chemical reactions in: Dynamics of Molecules and Chemical Reactions, eds. R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker Inc., NY, 1996), pp. 531-559.
Review Papers
  1. N. Balakrishnan, C. Kalyanaraman and N. Sathyamurthy, Time-dependent quantal approach to reactive scattering and related processes, Phys. Rep. 280, 79 (1997).

  2. P. F. Weck and N. Balakrishnan, Importance of long-range interactions in chemical reactions at cold and ultracold temperatures, Int. Rev. Phys. Chem. 25, 283 (2006).

 
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