B. Trout

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http://web.mit.edu/cheme/people/faculty/trout.html

Articles in Scholarly Journals [Incomplete List]

  1. Surface-Mediated Nucleation in the Solid-State Polymorph Transformation of Terephthalic Acid
    Journal of the American Chemical Society, vol. 129, no. 15, pp. 4714–4723, 2007
  2. Interaction of Hydrogen Chloride with Ice Surfaces: The Effects of Grain Size, Surface Roughness, and Surface Disorder
    Journal of Physical Chemistry A, vol. 111, no. 28, pp. 6274–6284, 2007
  3. Extensions to the likelihood maximization approach for finding reaction coordinates
    The Journal of Chemical Physics, vol. 127, no. 3, p. 034109, 2007
  4. From the Cover: Hydrogen chloride-induced surface disordering on ice
    Proceedings of the National Academy of Sciences, vol. 103, no. 25, pp. 9422–9427, 2006
  5. Obtaining reaction coordinates by likelihood maximization
    The Journal of Chemical Physics, vol. 125, no. 5, p. 054108, 2006
  6. The Journal of Physical Chemistry B, vol. 110, no. 13, pp. 6856–6863, 2006
  7. The Journal of Physical Chemistry B, vol. 110, no. 3, pp. 1476–1484, 2006
  8. Journal of Physical Chemistry B, vol. 110, no. 36, pp. 18007–18016, 2006
  9. Biochemistry, vol. 45, no. 16, pp. 5384–5392, 2006
  10. Biochemistry, vol. 45, no. 51, pp. 15430–15443, 2006
  11. Biochemistry, vol. 44, no. 12, pp. 4919–4925, 2005
  12. Effects of Excipients on the Hydrogen Peroxide-Induced Oxidation of Methionine Residues in Granulocyte Colony-Stimulating Factor
    Pharmaceutical Research, vol. 22, no. 1, pp. 141–147, 2005
  13. Application of transition path sampling methods in catalysis: A new mechanism for bond formation in the methanol coupling reaction in chabazite
    Catalysis Today, vol. 105, no. 1, pp. 93–105, 2005
  14. The Journal of Physical Chemistry B, vol. 109, no. 15, pp. 6948–6951, 2005
  15. The Journal of Physical Chemistry B, vol. 109, no. 37, pp. 17630–17634, 2005
  16. The Journal of Physical Chemistry B, vol. 109, no. 41, pp. 19320–19328, 2005
  17. The Journal of Physical Chemistry B, vol. 109, no. 16, pp. 8153–8163, 2005
  18. Langmuir, vol. 21, no. 25, pp. 11599–11603, 2005
  19. Journal of the American Chemical Society, vol. 127, no. 50, pp. 17852–17862, 2005
  20. Methanol coupling in the zeolite chabazite studied via Car-Parrinello molecular dynamics
    Molecular Physics, vol. 102, no. 3, pp. 281–288, 2004
  21. Lateral interactions between oxygen atoms adsorbed on platinum (111) by first principles
    Molecular Physics, vol. 102, no. 3, pp. 273–279, 2004
  22. Phase diagram of oxygen adsorbed on platinum (111) by first-principles investigation
    Physical Review B, vol. 70, no. 4, 2004
  23. Rational Design of Solution Additives for the Prevention of Protein Aggregation
    Biophysical Journal, vol. 87, no. 3, pp. 1631–1639, 2004
  24. The Journal of Physical Chemistry B, vol. 108, no. 48, pp. 18705–18715, 2004
  25. The Journal of Physical Chemistry B, vol. 108, no. 1, pp. 250–264, 2004
  26. Journal of the American Chemical Society, vol. 126, no. 3, pp. 900–908, 2004
  27. Journal of the American Chemical Society, vol. 126, no. 50, pp. 16601–16607, 2004
  28. Density-functional theory characterization of acid sites in chabazite
    Journal of Catalysis, vol. 227, no. 1, pp. 77–89, 2004
  29. A comprehensive picture of non-site specific oxidation of methionine residues by peroxides in protein pharmaceuticals
    Journal of Pharmaceutical Sciences, vol. 93, no. 12, pp. 3096–3102, 2004
  30. Effects of Antioxidants on the Hydrogen Peroxide-Mediated Oxidation of Methionine Residues in Granulocyte Colony-Stimulating Factor and Human Parathyroid Hormone Fragment 13-34
    Pharmaceutical Research, vol. 21, no. 12, pp. 2377–2383, 2004
  31. Biochemistry, vol. 43, no. 44, pp. 14139–14148, 2004
  32. Biochemistry, vol. 43, no. 4, pp. 1019–1029, 2004
  33. A consistent and verifiable macroscopic model for the dissolution of liquid CO2 in water under hydrate forming conditions
    Energy Conversion and Management, vol. 44, no. 5, pp. 771–780, 2003
  34. Journal of the American Chemical Society, vol. 125, no. 25, pp. 7743–7747, 2003
  35. The Journal of Physical Chemistry B, vol. 107, no. 50, pp. 14058–14067, 2003
  36. A super-linear minimization scheme for the nudged elastic band method
    The Journal of Chemical Physics, vol. 119, no. 24, p. 12708, 2003
  37. Computations of diffusivities in ice and CO[sub 2] clathrate hydrates via molecular dynamics and Monte Carlo simulations
    The Journal of Chemical Physics, vol. 116, no. 2, p. 702, 2002
  38. A new approach for studying nucleation phenomena using molecular simulations: Application to CO[sub 2] hydrate clathrates
    The Journal of Chemical Physics, vol. 117, no. 4, p. 1786, 2002
  39. The Journal of Physical Chemistry A, vol. 106, no. 30, pp. 6972–6981, 2002
  40. The Journal of Physical Chemistry B, vol. 106, no. 31, pp. 7681–7687, 2002
  41. The Journal of Physical Chemistry B, vol. 106, no. 48, pp. 12575–12583, 2002
  42. The Journal of Physical Chemistry A, vol. 105, no. 29, pp. 7037–7046, 2001
  43. The Journal of Physical Chemistry B, vol. 105, no. 32, pp. 7739–7747, 2001
  44. The Journal of Physical Chemistry B, vol. 105, no. 44, pp. 10950–10960, 2001
  45. A method to extract potentials from the temperature dependence of Langmuir constants for clathrate-hydrates
    Physica A: Statistical Mechanics and its Applications, vol. 300, no. 1-2, pp. 139–173, 2001
  46. The interaction of HCl with the (0 0 0 1) face of hexagonal ice studied theoretically via Car–Parrinello molecular dynamics
    Chemical Physics Letters, vol. 348, no. 3-4, pp. 285–292, 2001
  47. Computation of the methane–water potential energy hypersurface via ab initio methods
    The Journal of Chemical Physics, vol. 115, no. 6, p. 2550, 2001
  48. Thermochemistry of gas phase CF[sub 2] reactions: A density functional theory study
    The Journal of Chemical Physics, vol. 113, no. 10, p. 4103, 2000
  49. First-principles molecular-dynamics study of surface disordering of the (0001) face of hexagonal ice
    The Journal of Chemical Physics, vol. 113, no. 23, p. 10733, 2000
  50. The Journal of Physical Chemistry B, vol. 104, no. 49, pp. 11734–11747, 2000
  51. The Journal of Physical Chemistry B, vol. 103, no. 30, pp. 6300–6308, 1999
  52. The Journal of Physical Chemistry B, vol. 103, no. 34, pp. 7340–7345, 1999
  53. The dissociation mechanism of ? in water studied by first-principles molecular dynamics
    Chemical Physics Letters, vol. 288, no. 2-4, pp. 343–347, 1998
  54. Diffusion and reaction in ZSM-5 studied by dynamic Monte Carlo
    Chemical Engineering Science, vol. 52, no. 14, pp. 2265–2276, 1997
  55. The Journal of Physical Chemistry, vol. 100, no. 10, pp. 4173–4179, 1996
  56. The Journal of Physical Chemistry, vol. 100, no. 44, pp. 17582–17592, 1996