Physical Chemistry Chemical Physics, 1463-9076
Journal
Publications
- 2020
- Published
Carbon dioxide and water incorporation mechanisms in SrFeO3−δ phases: a computational study
Peter Slater, 21 Nov 2020, In: Physical Chemistry Chemical Physics. 22, 43, p. 25146-25155 10 p.Research output: Contribution to journal › Article › peer-review
- E-pub ahead of print
Measurement of the fluorescence lifetime of GFP in high refractive index levitated droplets using FLIM
Francis Pope, 15 Jun 2020, In: Physical Chemistry Chemical Physics. 22, 26, p. 14704-14711Research output: Contribution to journal › Article › peer-review
- 2019
- Published
On the interaction of hyaluronic acid with synovial fluid lipid membranes
Dylan Owen, 21 May 2019, In: Physical Chemistry Chemical Physics. 21, 19, p. 9845-9857 13 p.Research output: Contribution to journal › Article › peer-review
- 2018
- Published
Bulk phase behavior of lithium imide–metal nitride ammonia decomposition catalysts
Joshua Makepeace, 21 Sep 2018, In: Physical Chemistry Chemical Physics. 20, 35, p. 22689-22697 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Bridge-bonded methylthiolate on Au(111) observed with the scanning tunneling microscope
Lin Tang & Quanmin Guo, 7 Aug 2018, In: Physical Chemistry Chemical Physics. 20, p. 19486-19491Research output: Contribution to journal › Article › peer-review
- Published
PRODAN differentially influences its local environment
Dylan Owen, 31 May 2018, In: Physical Chemistry Chemical Physics. 20, 23, p. 16060-16066Research output: Contribution to journal › Article › peer-review
- Published
Framework flexibility of ZIF-8 under liquid intrusion: discovering time-dependent mechanical response and structural relaxation
Yueting Sun, 21 Apr 2018, In: Physical Chemistry Chemical Physics. 20, 15, p. 10108-10113 6 p.Research output: Contribution to journal › Article › peer-review
- Published
Neutron diffraction and gravimetric study of the manganese nitriding reaction under ammonia decomposition conditions
Joshua Makepeace, 7 Apr 2018, In: Physical Chemistry Chemical Physics. 20, 13, p. 8547-8553 7 p.Research output: Contribution to journal › Article › peer-review
- Published
The aggregation of an alkyl-C60 derivative as a function of concentration, temperature and solvent type
Melanie Britton, Zoe Schnepp, 7 Feb 2018, In: Physical Chemistry Chemical Physics. 20, 5, p. 3373-3380 8 p.Research output: Contribution to journal › Article › peer-review
- 2017
- E-pub ahead of print
Coincident velocity map image reconstruction illustrated by the single-photon valence photoionisation of CF3SF5
Richard Tuckett, 30 Oct 2017, In: Physical Chemistry Chemical Physics. 19, p. 30173-30180Research output: Contribution to journal › Article › peer-review
- Published
DFT study of the structure, chemical ordering and molecular adsorption of Pd-Ir nanoalloys
Ilker Demiroglu & Roy Johnston, 21 Oct 2017, In: Physical Chemistry Chemical Physics. 2017, 39, p. 27090-27098Research output: Contribution to journal › Article › peer-review
- Published
Ionic liquids for metal extraction from chalcopyrite: Solid, liquid and gas phase studies
Tim Albrecht, 28 Aug 2017, In: Physical Chemistry Chemical Physics. 19, 32, p. 21556-21564 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Advances in threshold photoelectron spectroscopy (TPES) and threshold photoelectron photoion coincidence (TPEPICO)
Richard Tuckett, 21 Apr 2017, In: Physical Chemistry Chemical Physics. 19, 15, p. 9698-9723 26 p.Research output: Contribution to journal › Article › peer-review
- Published
The role of ion-water interactions in determining the Soret coefficient of LiCl aqueous solutions
Tim Albrecht, 14 Apr 2017, In: Physical Chemistry Chemical Physics. 19, 14, p. 9575-9583 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Time-resolved molecule counting by photon statistics across the visible spectrum
Dirk-Peter Herten, 7 Apr 2017, In: Physical Chemistry Chemical Physics. 19, 13, p. 8962-8969 8 p.Research output: Contribution to journal › Article › peer-review
- 2016
- Published
Na2CoSiO4 as a cathode material for sodium-ion batteries : structure, electrochemistry and diffusion pathways
Emma Kendrick, 28 Dec 2016, In: Physical Chemistry Chemical Physics. 18, 48, p. 32744-32752 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Dynamic viscosity mapping of the oxidation of squalene aerosol particles
Francis Pope, 28 Nov 2016, In: Physical Chemistry Chemical Physics. 18, 44, p. 30385-30393 9 p.Research output: Contribution to journal › Article › peer-review
- Published
A Computational Study of doped olivine structured Cd2GeO4: local defect trapping of interstitial oxide ions
Peter Slater, 7 Oct 2016, In: Physical Chemistry Chemical Physics. 18, 37, p. 26284 - 26290 7 p.Research output: Contribution to journal › Article › peer-review
- Published
DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters
Roy Johnston, 7 Oct 2016, In: Physical Chemistry Chemical Physics. 18, 37, p. 26133-26143 11 p.Research output: Contribution to journal › Article › peer-review
- Published
Nanoparticle electrochemistry
Neil Rees, 28 Sep 2016, In: Physical Chemistry Chemical Physics. 18, 36, p. 24812-24819 8 p.Research output: Contribution to journal › Article › peer-review
- E-pub ahead of print
Self-assembly of colloidal magnetic particles: energy landscapes and structural transitions
Dwaipayan Chakrabarti, 15 Sep 2016, In: Physical Chemistry Chemical Physics. 18, 38, p. 26579-26585 7 p.Research output: Contribution to journal › Article › peer-review
- Published
A comparative study of AumRhn (4 ≤ m + n ≤ 6) clusters in the gas phase versus those deposited on (100) MgO
Roy Johnston, 28 Aug 2016, In: Physical Chemistry Chemical Physics. 18, 32, p. 22122-22128 7 p.Research output: Contribution to journal › Article › peer-review
- Published
Elucidating the degradation mechanism of the cathode catalyst of PEFCs by a combination of electrochemical methods and X-ray fluorescence spectroscopy
Paramaconi Rodriguez, 28 Aug 2016, In: Physical Chemistry Chemical Physics. 18, 32, p. 22407-22415 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Fluorescence lifetime imaging of optically levitated aerosol: a technique to quantitatively map the viscosity of suspended aerosol particles
Peter Seville, Phil Gallimore & Francis Pope, 19 Jul 2016, In: Physical Chemistry Chemical Physics. 18, 31, p. 21710-21719Research output: Contribution to journal › Article › peer-review
- Published
Global optimization of small bimetallic Pd-Co binary nanoalloy clusters: a genetic algorithm approach at the DFT level
Roy Johnston, 7 Mar 2016, In: Physical Chemistry Chemical Physics. 18, 9, p. 6676-82 7 p.Research output: Contribution to journal › Article › peer-review
- 2015
- Published
Cloud condensation nucleation activities of calcium carbonate and its atmospheric ageing products
Francis Pope, 28 Dec 2015, In: Physical Chemistry Chemical Physics. 17, 48, p. 32194-32203 10 p.Research output: Contribution to journal › Article › peer-review
- Published
Au–Rh and Au–Pd nanocatalysts supported on rutile titania nanorods: structure and chemical stability
Zi Li, 14 Nov 2015, In: Physical Chemistry Chemical Physics. 17, 42, p. 28112-28120 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Modular construction of size-selected multiple-core Pt–TiO2 nanoclusters for electro-catalysis
Neil Rees & Richard Palmer, 14 Nov 2015, In: Physical Chemistry Chemical Physics. 17, 42, p. 28005-28009 5 p.Research output: Contribution to journal › Article › peer-review
- Published
Recent advances in the chemical physics of nanoalloys
Roy Johnston, 14 Nov 2015, In: Physical Chemistry Chemical Physics. 17, 42, p. 27920-27921 2 p.Research output: Contribution to journal › Editorial › peer-review
- Published
Theoretical study of the structures and chemical ordering of cobalt–palladium nanoclusters
Roy Johnston, 14 Nov 2015, In: Physical Chemistry Chemical Physics. 17, 42, p. 28311-28321 11 p.Research output: Contribution to journal › Article › peer-review
- Published
Theoretical study of the reactions of Criegee intermediates with ozone, alkylhydroperoxides, and carbon monoxide
Mike Newland & William Bloss, 7 Oct 2015, In: Physical Chemistry Chemical Physics. 17, 37, p. 23847-23858 12 p.Research output: Contribution to journal › Article › peer-review
- Published
Isotopic studies of the ammonia decomposition reaction mediated by sodium amide
Joshua Makepeace, 4 Aug 2015, In: Physical Chemistry Chemical Physics.Research output: Contribution to journal › Article › peer-review
- Published
Thermodynamically neutral Kubas-type hydrogen storage using amorphous Cr(iii) alkyl hydride gels
Daniel Reed, David Book, 14 Apr 2015, In: Physical Chemistry Chemical Physics. 17, 14, p. 9480-9487 8 p.Research output: Contribution to journal › Article › peer-review
- Published
Kinetics of stabilised Criegee intermediates derived from alkene ozonolysis: reactions with SO2, H2O and decomposition under boundary layer conditions
Mike Newland, Salim Alam & William Bloss, 14 Feb 2015, In: Physical Chemistry Chemical Physics. 17, 6, p. 4076-4088 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Pool-BCGA : a parallelised generation-free genetic algorithm for the ab initio global optimisation of nanoalloy clusters
Roy Johnston, 21 Jan 2015, In: Physical Chemistry Chemical Physics. 17, 3, p. 2104-2112Research output: Contribution to journal › Article › peer-review
- 2014
- Published
DFT studies of oxygen dissociation on the 116-atom platinum truncated octahedron particle
Roy Johnston, 28 Dec 2014, In: Physical Chemistry Chemical Physics. 16, 48, p. 26539-45 7 p.Research output: Contribution to journal › Article › peer-review
- Published
The effects of 1-pentyne hydrogenation on the atomic structures of size-selected AuN and PdN (N = 923 and 2057) nanoclusters
Simon Plant & Richard Palmer, 28 Dec 2014, In: Physical Chemistry Chemical Physics. 16, 48, p. 26631-26637 7 p.Research output: Contribution to journal › Article › peer-review
- Published
A theoretical study of the structures and optical spectra of helical copper–silver clusters
Roy Johnston, 21 Oct 2014, In: Physical Chemistry Chemical Physics. 16, 39, p. 21039-21048 10 p.Research output: Contribution to journal › Article › peer-review
- Published
Shining new light on the multifaceted dissociative photoionisation dynamics of CCl4
Richard Tuckett, 14 Oct 2014, In: Physical Chemistry Chemical Physics. 16, 38, p. 20492-20499Research output: Contribution to journal › Article › peer-review
- Published
Monitoring hydroquinone-quinone redox cycling by single molecule fluorescence spectroscopy
Dirk-Peter Herten, 28 Sep 2014, In: Physical Chemistry Chemical Physics. 16, 36, p. 19550-19555 6 p.Research output: Contribution to journal › Article › peer-review
- Published
Electrocatalysis on gold
Paramaconi Rodriguez, 21 Jul 2014, In: Physical Chemistry Chemical Physics. 16, 27, p. 13583-13594 12 p.Research output: Contribution to journal › Article › peer-review
- Published
Nanoparticle catalysts for proton exchange membrane fuel cells: Can surfactant effects be beneficial for electrocatalysis?
Jon Preece, Neil Rees, 21 Jun 2014, In: Physical Chemistry Chemical Physics. 16, 23, p. 11435-11446 12 p.Research output: Contribution to journal › Article › peer-review
- Published
Optical trapping and Raman spectroscopy of solid particles
Francis Pope, 21 Jun 2014, In: Physical Chemistry Chemical Physics. 16, 23, p. 11426-11434 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Ozonolysis of methyl oleate monolayers at the air–water interface: oxidation kinetics, reaction products and atmospheric implications
Christian Pfrang, 28 May 2014, In: Physical Chemistry Chemical Physics. 16, 26, p. 13220-13228 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Flow dependent performance of microfluidic microbial fuel cells
Daniele Vigolo, 8 May 2014, In: Physical Chemistry Chemical Physics. 16, 24, p. 12535-12543 9 p.Research output: Contribution to journal › Article › peer-review
- Published
In situ X-ray powder diffraction studies of hydrogen storage and release in the Li–N–H system
Joshua Makepeace, Peter Edwards, 7 Mar 2014, In: Physical Chemistry Chemical Physics. 16, 9, p. 4061-4070 10 p.Research output: Contribution to journal › Article › peer-review
- Published
The kinetics and product state distributions from gas-phase reactions of small atomic and molecular cations with C2H4, C2H3F, 1,1-C2H2F2, C2HF3 and C2F4
Victor Mikhailov & Richard Tuckett, 7 Jan 2014, In: Physical Chemistry Chemical Physics. 16, 8, p. 3726-3738Research output: Contribution to journal › Article › peer-review
- Published
Self-assembled alkanethiol monolayers on gold surfaces: resolving the complex structure at the interface by STM
Quanmin Guo, 2014, In: Physical Chemistry Chemical Physics. 16, 36, p. 19074Research output: Contribution to journal › Article › peer-review
- 2013
- Published
Evaluation of photodissociation spectroscopy as a structure elucidation tool for isolated clusters: A case study of Ag and Au
Roy Johnston, 7 Dec 2013, In: Physical Chemistry Chemical Physics. 15, 45, p. 19715-19723 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Blackbody-mediated rotational laser cooling schemes in MgH+, DCl+, HCl+, LiH and CsH
Tim Softley, 14 Sep 2013, In: Physical Chemistry Chemical Physics. 15, p. 14270-14281 12 p.Research output: Contribution to journal › Article › peer-review
- Published
NO3 radical production from the reaction between the Criegee intermediate CH2OO and NO2
William Bloss, 13 Aug 2013, In: Physical Chemistry Chemical Physics.Research output: Contribution to journal › Article › peer-review
- Published
Different formation kinetics and photoisomerization behaviour of self-assembled monolayers of thiols and dithiolanes bearing azobenzene moieties
Paul Yeung, James Bowen, Parvez Iqbal, Jon Preece & Paula Mendes, 14 Jul 2013, In: Physical Chemistry Chemical Physics. 15, 26, p. 11014-11024 11 p.Research output: Contribution to journal › Article › peer-review
- Published
Faceting preferences for Au(N) and Pd(N) nanoclusters with high-symmetry motifs
Zi Li & Roy Johnston, 7 Jun 2013, In: Physical Chemistry Chemical Physics. 15, 21, p. 8392-400 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Symmetrisation schemes for global optimisation of atomic clusters
Mark Oakley, Roy Johnston, 21 Mar 2013, In: Physical Chemistry Chemical Physics. 15, 11, p. 3965-3976Research output: Contribution to journal › Article › peer-review
- Published
Electrochemistry of nickel nanoparticles is controlled by surface oxide layers
Neil Rees, 21 Jan 2013, In: Physical Chemistry Chemical Physics. 15, 3, p. 761-763 3 p.Research output: Contribution to journal › Article › peer-review
- Published
HRTEM and STEM-HAADF characterisation of Au–TiO2 and Au–Al2O3 catalysts for a better understanding of the parameters influencing their properties in CO oxidation
Ruth Chantry, Zi Li, 1 Jan 2013, In: Physical Chemistry Chemical Physics. 15, 10, p. 3473Research output: Contribution to journal › Article › peer-review
- 2012
- Published
The charge transfer kinetics of the oxidation of silver and nickel nanoparticles via particle-electrode impact electrochemistry
Neil Rees, 7 Nov 2012, In: Physical Chemistry Chemical Physics. 14, 41, p. 14354-14357 4 p.Research output: Contribution to journal › Article › peer-review
- Published
Nanoparticle-electrode impacts: The oxidation of copper nanoparticles has slow kinetics
Neil Rees, 21 Oct 2012, In: Physical Chemistry Chemical Physics. 14, 39, p. 13612-13617 6 p.Research output: Contribution to journal › Article › peer-review
- Published
A theoretical exploration of unexpected amine⋯π interactions
John Fossey, 14 Aug 2012, In: Physical Chemistry Chemical Physics. 14, 30, p. 10747-10753 7 p.Research output: Contribution to journal › Article › peer-review
- Published
Orientational ordering of the second layer of C(60) molecules on Au(111).
Lin Tang & Quanmin Guo, 14 Mar 2012, In: Physical Chemistry Chemical Physics. 14, 10, p. 3323-8 6 p.Research output: Contribution to journal › Article
- Published
Theoretical studies of Pt-Ti nanoparticles for potential use as PEMFC electrocatalysts.
Roy Johnston, 8 Feb 2012, In: Physical Chemistry Chemical Physics. 14, 9, p. 3134-9 6 p.Research output: Contribution to journal › Article
- Published
Dissociation dynamics of fluorinated ethene cations: from time bombs on a molecular level to double-regime dissociators
Richard Tuckett, 17 Jan 2012, In: Physical Chemistry Chemical Physics. 14, 11, p. 3935-3948Research output: Contribution to journal › Article › peer-review
- Published
The effect of humidity on the ozonolysis of unsaturated compounds in aerosol particles
Francis Pope, 1 Jan 2012, In: Physical Chemistry Chemical Physics. 14, 22, p. 8023Research output: Contribution to journal › Article › peer-review
QM/MM simulation of liquid water with an adaptive quantum region
Csilla Varnai, 2012, In: Physical Chemistry Chemical Physics.Research output: Contribution to journal › Article › peer-review
- 2011
- Published
Destabilisation of the Li–N–H hydrogen storage system with elemental Si
Shahrouz Nayebossadri, 21 Oct 2011, In: Physical Chemistry Chemical Physics. 13, 39, p. 17683-17688 6 p.Research output: Contribution to journal › Article › peer-review
- Published
Production of cold bromine atoms at zero mean velocity by photodissociation
Tim Softley, 14 May 2011, In: Physical Chemistry Chemical Physics. 13, p. 8441-8447 7 p.Research output: Contribution to journal › Article › peer-review
- Published
Total radical yields from tropospheric ethene ozonolysis.
Salim Alam & William Bloss, 12 Apr 2011, In: Physical Chemistry Chemical Physics. 13, p. 11002-11015 14 p.Research output: Contribution to journal › Article
- Published
In situ surface-enhanced Raman scattering and X-ray photoelectron spectroscopic investigation of coenzyme Q10 on silver electrode
John Fossey, 1 Jan 2011, In: Physical Chemistry Chemical Physics. 13, 6, p. 2259-65 7 p.Research output: Contribution to journal › Article › peer-review
- Published
Low frequency temperature forcing of chemical oscillations
Jan Novak & Melanie Britton, 1 Jan 2011, In: Physical Chemistry Chemical Physics. 13, 26, p. 12321-12327 7 p.Research output: Contribution to journal › Article
- Published
Relationship between the c(4 x 2) and the (root 3 x root 3)R30 degrees phases in alkanethiol self-assembled monolayers on Au(111)
Lin Tang & Quanmin Guo, 1 Jan 2011, In: Physical Chemistry Chemical Physics. 13, 25, p. 11958-11964 7 p.Research output: Contribution to journal › Article
- Published
Structured visible absorption spectrum of molecular chlorine
Francis Pope, 1 Jan 2011, In: Physical Chemistry Chemical Physics. 13, 33, p. 15318 1 p.Research output: Contribution to journal › Article
- 2010
- Published
Thermodynamic evidence for K+-SO4 2- ion pair formation on Pt(111). New insight into cation specific adsorption
Paramaconi Rodriguez, 14 Oct 2010, In: Physical Chemistry Chemical Physics. 12, 38, p. 12146-12152 7 p.Research output: Contribution to journal › Article › peer-review
- Published
Experimental approach to extend the range for counting fluorescent molecules based on photon-antibunching
Dirk-Peter Herten, 25 Sep 2010, In: Physical Chemistry Chemical Physics. 12, 35, p. 10295-10300 6 p.Research output: Contribution to journal › Article › peer-review
- Published
Probing the mechanisms of electron capture dissociation mass spectrometry with nitrated peptides
Andrew Jones & Helen Cooper, 8 Sep 2010, In: Physical Chemistry Chemical Physics.Research output: Contribution to journal › Article › peer-review
- Published
Self-promotion mechanism for CO electrooxidation on gold
Paramaconi Rodriguez, 28 Aug 2010, In: Physical Chemistry Chemical Physics. 12, 32, p. 9373-9380 8 p.Research output: Contribution to journal › Article › peer-review
- Published
Application of ex situ dynamic nuclear polarization in studying small molecules
Christian Ludwig, Abdul-Hamid Emwas, Zoe Pikramenou, Stephen Hammond & Ulrich Guenther, 14 Jun 2010, In: Physical Chemistry Chemical Physics. 12, 22, p. 5868-5871 4 p.Research output: Contribution to journal › Article › peer-review
- Published
Competing ultrafast intersystem crossing and internal conversion in the "channel 3" region of benzene
Graham Worth, 1 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 48, p. 15607-15615 9 p.Research output: Contribution to journal › Article
- Published
Controlling the mechanism of fulvene S-1/S-0 decay: switching off the stepwise population transfer
Graham Worth, 1 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 48, p. 15725-15733 9 p.Research output: Contribution to journal › Article
- Published
Exploring the sloped-to-peaked S-2/S-1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations
Graham Worth, 1 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 19, p. 4949-4958 10 p.Research output: Contribution to journal › Article
- Published
Guiding the time-evolution of a molecule: optical control by computer
Graham Worth, 1 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 48, p. 15570-15579 10 p.Research output: Contribution to journal › Article
- Published
Investigation of the structures and chemical ordering of small Pd-Au clusters as a function of composition and potential parameterisation
Roy Johnston, 1 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 30, p. 8607-8619 13 p.Research output: Contribution to journal › Article
- Published
Local control of multidimensional dynamics
Graham Worth, 1 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 48, p. 15616-15627 12 p.Research output: Contribution to journal › Article
- Published
Vacuum-UV negative photoion spectroscopy of CH3F, CH3Cl and CH3Br
Richard Tuckett, 1 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 36, p. 10971-10980 10 p.Research output: Contribution to journal › Article › peer-review
- 2009
- Published
Oxidation of oleic acid at the air-water interface and its potential effects on cloud critical supersaturations
Christian Pfrang, 21 Sep 2009, In: Physical Chemistry Chemical Physics. 11, 35, p. 7699-7707 9 p.Research output: Contribution to journal › Article › peer-review
- Published
Theoretical study of Cu38-nAun clusters using a combined empirical potential-density functional approach
Roy Johnston, 1 Jan 2009, In: Physical Chemistry Chemical Physics. 11, 44, p. 10340-10349 10 p.Research output: Contribution to journal › Article
- 2008
- Published
Chemical applications of laser- and sympathetically-cooled ions in ion traps
Tim Softley, 28 Dec 2008, In: Physical Chemistry Chemical Physics. 10, 48, p. 7200-7210 11 p.Research output: Contribution to journal › Article › peer-review
- Published
Searching for the optimum structures of alloy nanoclusters
Roy Johnston, 1 Jan 2008, In: Physical Chemistry Chemical Physics. 10, 5, p. 640-649 10 p.Research output: Contribution to journal › Article
- Published
Surface characterization of platinum electrodes
Paramaconi Rodriguez, 1 Jan 2008, In: Physical Chemistry Chemical Physics. 10, 10, p. 1359-1373 15 p.Research output: Contribution to journal › Article › peer-review
- 2007
- Published
Fully state-selected VMI study of the near-threshold photodissociation of NO2: variation of the angular anisotropy parameter.
Tim Softley, 1 Nov 2007, In: Physical Chemistry Chemical Physics. 9, 42, p. 5656-5663 8 p.Research output: Contribution to journal › Article › peer-review
- E-pub ahead of print
Selected ion flow tube cation–molecule reaction studies and threshold photoelectron photoion coincidence spectroscopy of cyclic-C5F8
Richard Tuckett, Victor Mikhailov & Christopher Mayhew, 2 Aug 2007, In: Physical Chemistry Chemical Physics. 9, 38, p. 5222 - 5231 10 p.Research output: Contribution to journal › Article › peer-review
- Published
Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case
Graham Worth, 1 Jan 2007, In: Physical Chemistry Chemical Physics. 9, 25, p. 3210-3227 18 p.Research output: Contribution to journal › Article
- Published
Structures and energetics of 98 atom Pd–Pt nanoalloys: potential stability of the Leary tetrahedron for bimetallic nanoparticles
Roy Johnston, 1 Jan 2007, In: Physical Chemistry Chemical Physics. 9, 38, p. 5202 1 p.Research output: Contribution to journal › Article
- Published
The potential of organic polymer-based hydrogen storage materials
David Book & Allan Walton, 1 Jan 2007, In: Physical Chemistry Chemical Physics. 9, 15, p. 1802-1808 7 p.Research output: Contribution to journal › Article
- 2006
- E-pub ahead of print
VUV photon induced fluorescence study of SF5CF3
Richard Tuckett, 10 Oct 2006, In: Physical Chemistry Chemical Physics. 8, 44, p. 5199-5206 8 p.Research output: Contribution to journal › Article › peer-review
- Published
Kinetic studies of reactions of the nitrate radical (NO3) with peroxy radicals (RO2): an indirect source of OH at night?
Christian Pfrang, 12 Jul 2006, In: Physical Chemistry Chemical Physics. 8, 32, p. 3749-3760 12 p.Research output: Contribution to journal › Article › peer-review
- Published
Gas-phase reactions of NO3 and N2O5 with (Z)-hex-4-en-1-ol, (Z)-hex-3-en-1-ol ('leaf alcohol'), (E)-hex-3-en-1-ol, (Z)-hex-2-en-1-ol and (E)-hex-2-en-1-ol
Christian Pfrang, 1 Jan 2006, In: Physical Chemistry Chemical Physics. 2006, 8, p. 354-363 10 p.Research output: Contribution to journal › Article › peer-review
- Published
Looking at long molecules in solution: what happens when they are subjected to Couette flow?
Tim Dafforn, 1 Jan 2006, In: Physical Chemistry Chemical Physics. 8, p. 3161-71 11 p.Research output: Contribution to journal › Article
- Published
Threshold photoelectron photoion coincidence spectroscopy and selected ion flow tube cation-molecule reaction studies of cyclic-C4F8
Richard Tuckett, Victor Mikhailov & Christopher Mayhew, 1 Jan 2006, In: Physical Chemistry Chemical Physics. 8, 31, p. 3643-3652 10 p.Research output: Contribution to journal › Article › peer-review
- 2005
- Published
Gas-phase rate coefficients for the reactions of nitrate radicals with (Z)-pent-2-ene, (E)-pent-2-ene, (Z)-hex-2-ene, (E)-hex-2-ene, (Z)-hex-3-ene, (E)-hex-3-ene and (E)-3-methylpent-2-ene at room temperature
Christian Pfrang, 13 May 2005, In: Physical Chemistry Chemical Physics. 7, 12, p. 2506-2512 7 p.Research output: Contribution to journal › Article › peer-review
- Published
Conical Intersections: A perspective on the computation of spectroscopic Jahn-Teller parameters and the degenerate 'intersection space'
Graham Worth, 1 Jan 2005, In: Physical Chemistry Chemical Physics. 7, 10, p. 2100-2115 16 p.Research output: Contribution to journal › Article
- Published
High-resolution absorption cross sections of formaldehyde at wavelengths from 313 to 320 nm
Francis Pope, 1 Jan 2005, In: Physical Chemistry Chemical Physics. 7, 1, p. 79Research output: Contribution to journal › Article › peer-review
- Published
Threshold photoelectron–photoion coincidence spectroscopy study of CHCl2F+, CHClF+2 and CH2ClF+: Steric influence of the chlorine, fluorine and hydrogen atoms
Richard Tuckett, 1 Jan 2005, In: Physical Chemistry Chemical Physics. 7, 11, p. 2287-2297 11 p.Research output: Contribution to journal › Article › peer-review
- Published
Towards an understanding of the oxidation state of Cobalt and Manganese Ions in Framework substituted Microporous Aluminophosphate Redox Catalysts: an Electron Paramagnetic Resonance and X-ray Absorption Spectroscopy Investigation
Paul Anderson, 1 Jan 2005, In: Physical Chemistry Chemical Physics. 7, p. 1856-1860 5 p.Research output: Contribution to journal › Article
- 2004
- Published
Threshold photoelectron photoion coincidence study of the fragmentation of valence states of CF 3 –CH 3+ and CHF 2 –CH 2 F + in the range 12–24 eV
Weidong Zhou, Richard Tuckett, 1 Jun 2004, In: Physical Chemistry Chemical Physics. 6, 12, p. 3081-3091 11 p.Research output: Contribution to journal › Article › peer-review
- Published
Cavity Enhanced Droplet Spectroscopy: Principles, Perspectives and Prospects
Robert Sayer & Jonathan Reid, 1 Jan 2004, In: Physical Chemistry Chemical Physics. 6, 3, p. 474-487 14 p.Research output: Contribution to journal › Article
- Published
Comment on "A deuteron NMR study of the tetrahydrofuran clathrate hydrate, Part II: Coupling of rotational and translational dynamics of water"
Simon Kitchin, Ken Harris, 1 Jan 2004, In: Physical Chemistry Chemical Physics. 6, p. 871-872 2 p.Research output: Contribution to journal › Article
- 2003
- Published
A Laser Induced Fluorescence Techniques for Determining the pH of Water Droplets and Probing Uptake Dynamics
Robert Sayer & Jonathan Reid, 1 Jan 2003, In: Physical Chemistry Chemical Physics. 5, 17, p. 3740 1 p.Research output: Contribution to journal › Article
- Published
Determination and Validation of Water Droplet Size Distributions Probed by Cavity Enhanced Raman Scattering
Robert Sayer & Jonathan Reid, 1 Jan 2003, In: Physical Chemistry Chemical Physics. 5, 17, p. 3732 1 p.Research output: Contribution to journal › Article
- Published
Time resolved experiments on the Atmospheric Oxidation of C₂H₆ and some C₂ Hydrofluorocarbons
Rouslan Olkhov & Ian Smith, 1 Jan 2003, In: Physical Chemistry Chemical Physics. 5, p. 3436-3442 7 p.Research output: Contribution to journal › Article
- 2002
- Published
Rate coefficients for rotational energy transfer from the levels OH(X (2)Pi(3/2), v=1, j(i)=1.5, 3.5-8.5) in collisions with He, Ar, N-2 and HNO3
Ian Smith, 1 Nov 2002, In: Physical Chemistry Chemical Physics. 4, 22, p. 5613-5621 9 p.Research output: Contribution to journal › Article
- Published
Fragmentation of valence electronic states of CF3-CH2F+ and CHF2-CHF2+ in the range 12-25eV
Weidong Zhou & Richard Tuckett, 19 Sep 2002, In: Physical Chemistry Chemical Physics. 4, 19, p. 4623-4633 11 p.Research output: Contribution to journal › Article › peer-review
- Published
Imaging thin films of organic molecules with the scanning tunnelling microscope
Richard Palmer & Quanmin Guo, 6 Sep 2002, In: Physical Chemistry Chemical Physics. 4, 18, p. 4275-4284 10 p.Research output: Contribution to journal › Review article
- Published
Passivated clusters: theoretical investigation of the effect of surface ligation on cluster geometry
Nicholas Wilson & Roy Johnston, 15 Aug 2002, In: Physical Chemistry Chemical Physics. 4, 17, p. 4168-4171 4 p.Research output: Contribution to journal › Article
- Published
The Chemical Kinetics and Dynamics of the Prototypical Reaction: OH + H₂ = H₂O + H
Ian Smith, 18 Jul 2002, In: Physical Chemistry Chemical Physics. 4, 15, p. 3543-3551 9 p.Research output: Contribution to journal › Article
- Published
A study of the gas-phase reactions of various cations with two derivatives of SF₆, SF₅CF₃ and SF₅Cl
Andrew Critchley, Richard Kennedy, Christopher Mayhew & Richard Tuckett, 20 May 2002, In: Physical Chemistry Chemical Physics. 4, 11, p. 2206-2223 18 p.Research output: Contribution to journal › Article › peer-review
- Published
Flow oriented linear dichroism to probe protein orientation in membrane environments
Mike Hannon, 1 Jan 2002, In: Physical Chemistry Chemical Physics. 4, p. 4051-4057 7 p.Research output: Contribution to journal › Article
- 2001
- Published
Gas Phase Anion Molecule Chemistry of SeF₆ and TeF₆
Richard Kennedy & Christopher Mayhew, 21 Dec 2001, In: Physical Chemistry Chemical Physics. 3, 24, p. 5511-5515 5 p.Research output: Contribution to journal › Article
- Published
Investigation of the structures of MgO clusters using a genetic algorithm
Roy Johnston, 9 Nov 2001, In: Physical Chemistry Chemical Physics. 3, 22, p. 5024-5034 11 p.Research output: Contribution to journal › Article
- Published
Branching ratios for competing channels in the reaction of HOCO radicals with NO
Rouslan Olkhov, Qiang Li & Ian Smith, 24 Sep 2001, In: Physical Chemistry Chemical Physics. 3, 20, p. 4522-4528 7 p.Research output: Contribution to journal › Article › peer-review
- E-pub ahead of print
Rate constants and Arrhenius parameters for the reactions of OH radicals and Cl atoms with CF3CH2OCHF2, CF3CHClOCHF2 and CF3CH2OCClF2, using the discharge-flow/resonance fluorescence method
Kevin Hickson, Ian Smith & Richard Tuckett, 11 Jun 2001, In: Physical Chemistry Chemical Physics. 3, 15, p. 3064-3069 6 p.Research output: Contribution to journal › Article › peer-review
- E-pub ahead of print
A study of the reactions of trifluoromethyl sulphur pentafluoride SF₅CF₃ with several positive ions of atmospheric interest
Richard Kennedy, Christopher Mayhew & Richard Tuckett, 4 May 2001, In: Physical Chemistry Chemical Physics. 3, 11, p. 1949-1953 5 p.Research output: Contribution to journal › Article › peer-review
- Published
Vibrational relaxation of highly excited NCNO in collisions with He, Ar and N₂
Ian Sims & Ian Smith, 26 Feb 2001, In: Physical Chemistry Chemical Physics. 3, 12, p. 2203-2208 6 p.Research output: Contribution to journal › Article › peer-review
- Published
A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalisation methods for computing bound-state spectra. Application to HO2
Graham Worth, 1 Jan 2001, In: Physical Chemistry Chemical Physics. 3, p. 1576-1582 7 p.Research output: Contribution to journal › Article
- 2000
- Published
(2+1) Resonance-enhanced multiphoton ionization (REMPI) and (2+1 ') mass-analyzed threshold ionization (MATI) spectroscopy of H2O
Tim Softley, 28 Sep 2000, In: Physical Chemistry Chemical Physics. 2, 20, p. 4669-4675 7 p.Research output: Contribution to journal › Article › peer-review
- Published
The use of threshold photoelectron-photoion coincidence spectroscopy to probe the spectroscopic and dynamic properties of the valence states of CCl3F+, CCl3H+ and CCl3Br+
Gary Jarvis & Richard Tuckett, 7 Feb 2000, In: Physical Chemistry Chemical Physics. 2, 4, p. 769-780 12 p.Research output: Contribution to journal › Article › peer-review
- 1999
- Published
Vacuum-UV fluorescence spectroscopy of CCl3F, CCl3H and CCl3Br in the range 8–30 eV
Richard Tuckett, 13 Jan 1999, In: Physical Chemistry Chemical Physics. 1, 5, p. 773-782Research output: Contribution to journal › Article › peer-review
- Published
A quantitative study of the rapid shrinking kinetics of sub-millimetre N-isopropylacrylamide gels
Iseult Lynch, 1 Jan 1999, In: Physical Chemistry Chemical Physics. 1, 9, p. 2103-2108 6 p.Research output: Contribution to journal › Article › peer-review