The Journal of Physical Chemistry A, 1089-5639

Journal

Publications

  1. Published
  2. Published
  3. 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

  4. E-pub ahead of print

    A selected ion flow tube study of the reactions of several cations with the group 6B hexafluorides SF6, SeF6, and TeF6

    Gary Jarvis, Richard Kennedy & Christopher Mayhew, 26 Oct 2000, (E-pub ahead of print) In: The Journal of Physical Chemistry A. 104, 46, p. 10766-10776 11 p.

    Research output: Contribution to journalArticlepeer-review

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. Published
  11. Published
  12. 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

  13. Published
  14. 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

  15. Published
  16. 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

  17. 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

  18. Published
  19. 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

  20. 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

  21. Published
  22. 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

  23. Published
  24. Published
  25. 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

  26. 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

  27. Published
  28. 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

  29. 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

  30. 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

  31. Published
  32. Published
  33. Published
  34. Published
  35. Published
  36. Published
  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
  39. Published
  40. Published
  41. 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

  42. 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

  43. Published
  44. 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

  45. Published
  46. Published
  47. Published
  48. Published
  49. 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

  50. Published
  51. 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

  52. Published
  53. 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

  54. Published
  55. Published
  56. 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

  57. 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

  58. 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

  59. 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

  60. 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

  61. Published
  62. 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

  63. 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