The Journal of Physical Chemistry A, 1089-5639

Journal

Publications

  1. Published

    Effects of Hydration on the Conformational Behavior of Flexible Molecules with Two Charge Centers

    Melanie Britton & Roy Johnston, 2 Jul 2020, In: The Journal of Physical Chemistry A. 124, 26, p. 5323-5330 8 p.

    Research output: Contribution to journalArticlepeer-review

  2. Published
  3. Published
  4. Published

    Time-dependent density-functional theory for modeling solid-state fluorescence emission of organic multicomponent crystals

    Andrew Morris, 20 Sep 2018, In: The Journal of Physical Chemistry A. 122, 37, p. 7514-7521 8 p.

    Research output: Contribution to journalArticlepeer-review

  5. Published

    Time-resolved gas-phase kinetic, quantum chemical, and RRKM studies of the reaction of silylene with 2,5-dihydrofuran

    Christian Pfrang, 19 Nov 2015, In: The Journal of Physical Chemistry A. 119, 46, p. 11241–11253 13 p.

    Research output: Contribution to journalArticlepeer-review

  6. Published

    Global minimum Pt(13)M(20) (M = Ag, Au, Cu, Pd) dodecahedral core-shell clusters

    Roy Johnston, 27 Dec 2013, In: The Journal of Physical Chemistry A. 117, 51, p. 14261-6 6 p.

    Research output: Contribution to journalArticlepeer-review

  7. Published
  8. Published
  9. Published

    Magnetic resonance imaging of flow-distributed oscillations

    Melanie Britton, 22 Sep 2005, In: The Journal of Physical Chemistry A. 109, 37, p. 8306-8313 8 p.

    Research output: Contribution to journalArticle

  10. Published
  11. Published
  12. Published
  13. Published
  14. Published

    The Effect of Dispersion Correction on the Adsorption of CO on Metallic Nanoparticles

    Roy Johnston, 17 Sep 2015, In: The Journal of Physical Chemistry A. 119, 37, p. 9703-9709

    Research output: Contribution to journalArticlepeer-review

  15. Published

    Global optimization of 8-10 atom palladium-iridium nanoalloys at the DFT level

    Roy Johnston, 9 Jan 2014, In: The Journal of Physical Chemistry A. 118, 1, p. 208-214 7 p.

    Research output: Contribution to journalArticlepeer-review

  16. Published
  17. Published

    Toward improved force fields. 2. Effective distributed multipoles

    Peter Winn, 24 Jul 1997, In: The Journal of Physical Chemistry A. 101, 30, p. 5446-5455 10 p.

    Research output: Contribution to journalArticlepeer-review

  18. Published

    Low-Energy Electron Attachment to the Dichlorodifluoromethane (Ccl 2 F 2 ) Molecule >†

    Christopher Mayhew, 28 Jan 2010, In: The Journal of Physical Chemistry A. 114, 3, p. 1474-1484 11 p.

    Research output: Contribution to journalArticle

  19. Published
  20. Published

    Water pentamer: Characterization of the torsional-puckering manifold by terahertz VRT spectroscopy

    Mark Viant, 28 Jul 2005, In: The Journal of Physical Chemistry A. 109, 29, p. 6483-6497 15 p.

    Research output: Contribution to journalArticlepeer-review

  21. Published

    A halomethane thermochemical network from iPEPICO experiments and quantum chemical calculations

    Richard Tuckett, 4 Oct 2012, In: The Journal of Physical Chemistry A. 116, 39, p. 9696-9705

    Research output: Contribution to journalArticlepeer-review

  22. Published

    Bismuth-doped tin clusters: experimental and theoretical studies of neutral Zintl analogues

    Roy Johnston, 26 Jul 2012, In: The Journal of Physical Chemistry A. 116, 29, p. 7756-64 9 p.

    Research output: Contribution to journalArticlepeer-review

  23. Published
  24. Published
  25. Published

    Selected ion flow tube study of the reactions between gas phase cations and CHC12F, CHC1F2 and CH2C1F

    Christopher Mayhew & Richard Tuckett, 2 Apr 2005, In: The Journal of Physical Chemistry A. 109, 16, p. 3626-3636 11 p.

    Research output: Contribution to journalArticlepeer-review

  26. Published

    Classical Polarization in Hybrid QM/MM Methods

    Peter Winn, 1 May 2006, In: The Journal of Physical Chemistry A. 110, 20, p. 6487-6497 11 p.

    Research output: Contribution to journalArticle

  27. E-pub ahead of print
  28. Published
  29. Published
  30. Published
  31. Published
  32. Published
  33. Published
  34. Published

    Structural insights into the lithium amide-imide solid solution

    Joshua Makepeace, 10 May 2017, In: The Journal of Physical Chemistry A. 121, 22, p. 12010−12017 8 p.

    Research output: Contribution to journalArticlepeer-review

  35. Published

    Kinetics of the removal of OH (v=1) and OD (v=1) by HNO₃ and DNO₃ from 253-383 K

    Ian Smith, 1 Jan 2003, In: The Journal of Physical Chemistry A. 107, p. 7762-7769 8 p.

    Research output: Contribution to journalArticle

  36. Published

    Ejection of Coulomb Crystals from a Linear Paul Ion Trap for Ion-Molecule Reaction Studies

    Tim Softley, 25 Sep 2015, In: The Journal of Physical Chemistry A. 119, p. 12449-12456 8 p.

    Research output: Contribution to journalArticlepeer-review

  37. Published

    On the reactions of Ca+, Sr+ and Ba+ with water and alcohols

    Victor Mikhailov, 19 Sep 2002, In: The Journal of Physical Chemistry A. 106, p. 8583-8589 7 p.

    Research output: Contribution to journalArticle

  38. Published

    Laser-induced fluorescence spectroscopy of the BaNC free radical in a supersonic jet

    Victor Mikhailov, 5 Jun 2003, In: The Journal of Physical Chemistry A. 107, p. 4367-4372 6 p.

    Research output: Contribution to journalArticle

  39. Published
  40. Published
  41. Published
  42. Published
  43. Published

    Kinetics, Mechanism, and Thermochemistry of the Gas Phase Reaction of Atomic Chlorine with Dimethyl Sulfoxide †

    Francis Pope, 1 Jun 2006, In: The Journal of Physical Chemistry A. 110, 21, p. 6874-6885

    Research output: Contribution to journalArticlepeer-review

  44. Published

    Tetrahelix conformations and transformation pathways in Pt1Pd12 clusters

    Roy Johnston, 31 May 2012, In: The Journal of Physical Chemistry A. 116, 21, p. 5235-9 5 p.

    Research output: Contribution to journalArticlepeer-review

  45. Published
  46. Published
  47. Published

    Ultraviolet Absorption Spectrum of Chlorine Peroxide, ClOOCl

    Francis Pope, 1 May 2007, In: The Journal of Physical Chemistry A. 111, 20, p. 4322-4332

    Research output: Contribution to journalArticlepeer-review

  48. Published
  49. Published

    Infrared Photodissociation Spectroscopy of Na(NH3)n Clusters: Probing the Solvent Coordination

    Victor Mikhailov, 30 Aug 2007, In: The Journal of Physical Chemistry A. 111, 34, p. 8344-8351 8 p.

    Research output: Contribution to journalArticle

  50. Published

    Vacuum-Ultraviolet Negative Photoion Spectroscopy of SF5Cl

    Richard Tuckett, 12 Aug 2010, In: The Journal of Physical Chemistry A. 114, 31, p. 8043-8048 6 p.

    Research output: Contribution to journalArticlepeer-review

  51. Published

    Selected ion flow tube study of the gas-phase reactions of CF+, CF2+, CF3+, and C2F4+ with C2H4, C2H3F, CH2F2, and C2HF3

    Richard Tuckett, 9 Aug 2012, In: The Journal of Physical Chemistry A. 116, 31, p. 8119-8129 11 p.

    Research output: Contribution to journalArticlepeer-review

  52. Published
  53. Published

    Absorption Cross Sections of Formaldehyde at Wavelengths from 300 to 340 nm at 294 and 245 K

    Francis Pope, 1 Oct 2006, In: The Journal of Physical Chemistry A. 110, 41, p. 11645-11653

    Research output: Contribution to journalArticlepeer-review

  54. Published

    C + C₂H₂: A key reaction in Interstellar Chemistry

    Ian Smith, Ian Sims, 1 Jan 2002, In: The Journal of Physical Chemistry A. 106, p. 5541-5552 12 p.

    Research output: Contribution to journalArticle

  55. Published

    Role of Hydrogen-Bonded Intermediates in the Bimolecular Reactions of the Hydroxyl Radical

    Ian Smith, 1 Jan 2002, In: The Journal of Physical Chemistry A. 106, p. 4798-4807 10 p.

    Research output: Contribution to journalArticle

  56. Published

    First step toward a universal fluorescent probe: unravelling the photodynamics of an amino-maleimide fluorophore

    Rachel O'Reilly, 31 Aug 2017, In: Journal of Physical Chemistry A. 121, 34, p. 6357-6365

    Research output: Contribution to journalArticlepeer-review

  57. Published
  58. Published
  59. Published
  60. Published

    Toward improved force fields. 1. Multipole-derived atomic charges

    Peter Winn, 24 Jul 1997, In: The Journal of Physical Chemistry A. 101, 30, p. 5437-5445 9 p.

    Research output: Contribution to journalArticlepeer-review

  61. Published
  62. Published

    Combined Impact of Denticity and Orientation on Molecular-Scale Charge Transport

    Tim Albrecht, 30 Apr 2020, In: The Journal of Physical Chemistry A. 124, 17, p. 9460-9469

    Research output: Contribution to journalArticlepeer-review

  63. Published

    Characterizing potential surface topographies through the distribution of saddles and minima

    Roy Johnston, 1 Jan 2006, In: The Journal of Physical Chemistry A. 110, 40, p. 11543-11550 8 p.

    Research output: Contribution to journalArticle