The Journal of Physical Chemistry A, 1089-5639

Journal

1 - 50 out of 62Page size: 50

Publications

  1. 2020
  2. 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 journal › Article › peer-review

  3. 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 journal › Article › peer-review

  4. 2018
  5. 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 journal › Article › peer-review

  6. 2017
  7. 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 journal › Article › peer-review

  8. 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 journal › Article › peer-review

  9. 2016
  10. Published

    Isomers and Energy Landscapes of Perchlorate-Water Clusters and a Comparison to Pure Water and Sulfate-Water Clusters

    Mark Oakley & Roy Johnston, 16 Jun 2016, In: The Journal of Physical Chemistry A. 120, 23, p. 4008-15 8 p.

    Research output: Contribution to journal › Article › peer-review

  11. 2015
  12. 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 journal › Article › peer-review

  13. 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 journal › Article › peer-review

  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 journal › Article › peer-review

  15. 2014
  16. Published

    Heterogeneous interaction of SiO2 with N2O5: aerosol flow tube and single particle levitation–Raman spectroscopy studies

    Francis Pope, 25 Sep 2014, In: The Journal of Physical Chemistry A. 118, 38, p. 8817-8827

    Research output: Contribution to journal › Article › peer-review

  17. Published

    Sensitivity and selectivity of switchable reagent ion soft chemical ionization mass spectrometry for the detection of picric acid

    Ramon Gonzalez Mendez, Neil Thomas, 18 Sep 2014, In: The Journal of Physical Chemistry A. 118, 37, p. 8229-8236 8 p.

    Research output: Contribution to journal › Article › peer-review

  18. 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 journal › Article › peer-review

  19. 2013
  20. 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 journal › Article › peer-review

  21. Published

    Solvent-induced luminescence quenching: Static and time-resolved X-ray absorption spectroscopy of a copper(I) phenanthroline complex

    Etienne Baranoff, 3 Jul 2013, In: The Journal of Physical Chemistry A. 117, 22, p. 4591-4601 11 p.

    Research output: Contribution to journal › Article › peer-review

  22. 2012
  23. 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 journal › Article › peer-review

  24. 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 journal › Article › peer-review

  25. 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 journal › Article › peer-review

  26. 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 journal › Article › peer-review

  27. 2010
  28. Published

    A Computational Investigation of the Nitrogen-Boron Interaction in o-(N,N-Dialkylaminomethyl)arylboronate Systems

    John Fossey, 1 Dec 2010, In: The Journal of Physical Chemistry A. 114, 47, p. 12531-12539 9 p.

    Research output: Contribution to journal › Article

  29. 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 journal › Article › peer-review

  30. Published

    A Straightforward Method of Analysis for Direct Quantum Dynamics: Application to the Photochemistry of a Model Cyanine

    Graham Worth, 1 Aug 2010, In: The Journal of Physical Chemistry A. 114, 33, p. 8713-8729 17 p.

    Research output: Contribution to journal › Article

  31. Published

    Studies of Single Aerosol Particles Containing Malonic Acid, Glutaric Acid, and Their Mixtures with Sodium Chloride. I. Hygroscopic Growth

    Francis Pope, 29 Apr 2010, In: The Journal of Physical Chemistry A. 114, 16, p. 5335-5341 7 p.

    Research output: Contribution to journal › Article

  32. 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 journal › Article

  33. Published

    Laboratory and modelling studies of aerosols comprised of malonic acid, glutaric acid, and their mixtures with sodium chloride: Part II volatility

    Francis Pope, 1 Jan 2010, In: The Journal of Physical Chemistry A. 114, p. 10156 1 p.

    Research output: Contribution to journal › Article

  34. 2008
  35. Published

    Controlling S-1/S-0 Decay and the Balance between Photochemistry and Photostability in Benzene: A Direct Quantum Dynamics Study

    Graham Worth, 1 Dec 2008, In: The Journal of Physical Chemistry A. 112, 50, p. 13017-13027 11 p.

    Research output: Contribution to journal › Article

  36. Published

    Selected ion flow tube study of the ion-molecule reactions of monochloroethene, trichloroethene, and tetrachloroethene

    Victor Mikhailov, Richard Tuckett & Christopher Mayhew, 25 Sep 2008, In: The Journal of Physical Chemistry A. 112, 38, p. 9012-9022 11 p.

    Research output: Contribution to journal › Article › peer-review

  37. Published

    Ultraviolet photolysis of HCHO: Absolute HCO quantum yields by direct detection of the HCO radical photoproduct

    Francis Pope, 1 Jan 2008, In: The Journal of Physical Chemistry A. 112, p. 12437 1 p.

    Research output: Contribution to journal › Article

  38. 2007
  39. 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 journal › Article

  40. 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 journal › Article › peer-review

  41. 2006
  42. Published

    Measurement of the concentration of Mn2+ and Mn3+ in the manganese-catalyzed 1,4-cyclohexanedione-acid-bromate reaction using redopx-triggered magnetic resonance spectroscopy

    Melanie Britton, 14 Dec 2006, In: The Journal of Physical Chemistry A. 110, 49, p. 13209-13214 6 p.

    Research output: Contribution to journal › Article

  43. 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 journal › Article › peer-review

  44. Published

    Spectroscopy of growing and evaporating water droplets: Exploring the variation in equilibrium droplet size with relative himidity

    Roy Johnston, 6 Jul 2006, In: The Journal of Physical Chemistry A. 110, 26, p. 8116-8125 10 p.

    Research output: Contribution to journal › Article

  45. 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 journal › Article › peer-review

  46. Published

    Isomeric effects in the gas-phase reactions of dichloroethene, C2H2Cl2, with a series of cations

    Victor Mikhailov, Richard Tuckett & Christopher Mayhew, 4 May 2006, In: The Journal of Physical Chemistry A. 110, 17, p. 5760-5771 12 p.

    Research output: Contribution to journal › Article › peer-review

  47. 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 journal › Article

  48. Published

    Nuclear magnetic resonance studies of convection in the 1,4-cyclohexanedione-bromate-acid reaction

    Melanie Britton, 20 Apr 2006, In: The Journal of Physical Chemistry A. 110, 15, p. 5075-5080 6 p.

    Research output: Contribution to journal › Article

  49. Published

    Spatial Quantification of Mn2+ and Mn3+ Concentrations in the Mn-Catalyzed 1,4-Cyclohexanedione/Acid/Bromate Reaction using Magnetic Resonance Imaging

    Melanie Britton, 2 Mar 2006, In: The Journal of Physical Chemistry A. 110, p. 2579-2582 4 p.

    Research output: Contribution to journal › Article

  50. 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 journal › Article

  51. 2005
  52. 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 journal › Article

  53. 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 journal › Article › peer-review

  54. 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 journal › Article › peer-review

  55. 2004
  56. Published

    Powder diffraction indexing as a pattern recognition problem: a new approach for determining unit cell parameters based on an artificial neural network

    Eugene Cheung, Ken Harris & Roy Johnston, 5 Feb 2004, In: The Journal of Physical Chemistry A. 108, p. 711-716 6 p.

    Research output: Contribution to journal › Article

  57. 2003
  58. 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 journal › Article

  59. 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 journal › Article

  60. Published

    Non-adiabatic dynamics: A comparison of surface hopping direct dynamics with quantum wavepacket calculations

    Graham Worth, 1 Jan 2003, In: The Journal of Physical Chemistry A. 107, p. 621-631 11 p.

    Research output: Contribution to journal › Article

  61. Published

    Nuclear Magnetic Resonance Studies of the 1,4-Cyclohexanedione-bromate-acid Oscillatory System

    Melanie Britton, 1 Jan 2003, In: The Journal of Physical Chemistry A. 107, p. 5033-5041 9 p.

    Research output: Contribution to journal › Article

  62. 2002
  63. 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 journal › Article

  64. Published

    Collisional transfer between Lambda-doublet levels of OH(X-2 Pi(3/2), v=1, j=3.5, and 6.5) in collisions with He, Ar, N-2, and HNO3

    Kevin Hickson & Ian Smith, 1 Sep 2002, In: The Journal of Physical Chemistry A. 106, 36, p. 8442-8449 8 p.

    Research output: Contribution to journal › Article

  65. 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 journal › Article

  66. Published

    Collisional Transfer between Λ-doublet levels of OH(X²Π₃/₂, v=1, j=3.5 and 6.5) in Collisions with He, Ar, N2 and HNO₃

    Ian Smith, 1 Jan 2002, In: The Journal of Physical Chemistry A. 106, p. 8443-8449 7 p.

    Research output: Contribution to journal › Article

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