Theoretical and computational chemistry. Data visualization and visual programming. General methods in quantum and classical mechanics

Azizi S, Ulrich G, Guglielmino M, le Calvé S, Hagon JP, Harriman A, Ziessel R. Photoinduced Proton Transfer Promoted by Peripheral Subunits for Some Hantzsch Esters. Journal of Physical Chemistry A 2015, 119(1), 39-49. Nano A, Retailleau P, Hagon J, Harriman A, Ziessel R. A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations. Physical Chemistry Chemical Physics 2014, 16(21), 10187-10198. Harriman A, Alamiry MAH, Hagon JP, Hablot D, Ziessel R. Through-Space Electronic Energy Transfer Across Proximal Molecular Dyads. Angewandte Chemie: International Edition 2013, 52(26), 6611-6615. Bai D, Benniston AC, Hagon J, Lemmetyinen H, Tkachenko NV, Harrington RW. Tuning the Forster overlap integral: energy transfer over 20 Angstroms from a pyrene-based donor to borondipyrromethene (Bodipy). Physical Chemistry Chemical Physics 2013, 15(24), 9854-9861. Benniston AC, Clift S, Hagon J, Lemmetyinen H, Tkachenko NV, Clegg W, Harrington RW. Effect on Charge Transfer and Charge Recombination by Insertion of a Naphthalene-Based Bridge in Molecular Dyads Based on Borondipyrromethene (Bodipy). ChemPhysChem 2012, 13(16), 3672-3681. Bai D, Benniston AC, Hagon J, Lemmetyinen H, Tkachenko NV, Clegg W, Harrington RW. Exploring Forster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad. Physical Chemistry Chemical Physics 2012, 14(13), 4447-4456. Benniston AC, Hagon J, He XY, Lemmetyinen H, Tkachenko NV, Clegg W, Harrington RW. Photoinduced charge shift and charge recombination through an alkynyl spacer for an expanded acridinium-based dyad. Physical Chemistry Chemical Physics 2012, 14(9), 3194-3199. Alamiry MAH, Hagon JP, Harriman A, Bura T, Ziessel R. Resolving the contribution due to F?rster-type intramolecular electronic energy transfer in closely coupled molecular dyads. Chemical Science 2012, 3(4), 1041-1048. Benniston AC, Hagon J, He XY, Yang SJ, Harrington RW. Spring Open Two-plus-Two Electron Storage in a Disulfide-Strapped Methyl Viologen Derivative. Organic Letters 2012, 14(2), 506-509. Alamiry MAH, Benniston AC, Hagon J, Winstanley TPL, Lemmetyinen H, Tkachenko NV. The fluorine effect: photophysical properties of borondipyrromethene (bodipy) dyes appended at the meso position with fluorinated aryl groups. RSC Advances 2012, 2(11), 4944-4950. Hagon JP, Briddon PR. AIMview: a visualization system and STEM simulator for users of the AIMpro density functional electronic structure program. [program]. 2009. Eyre RJ, Goss JP, Briddon PR, Hagon JP. Theory of Jahn-Teller distortions of the P donor in diamond. Journal of Physics Condensed Matter 2005, 17(37), 5831-5837. Hagon JP. font2dx. [program]. Version 0.3OpenDX Web Site, 2004. Hagon JP. LaTeX in 3D: OpenDX annotations. TUGboat: The Communications of the TeX Users Group 2004, 25(2), 177-187. Kitchin MR, Hagon JP, Jaros M. Models of GaSb/InAs type-II infrared detectors at very long wavelengths: Band offsets and interface bonds. Semiconductor Science and Technology 2003, 18(4), 225-233. Kitchin MR, Shaw MJ, Hagon JP, Jaros M. Alloy layer disorder in strained-layer InAs/GaInSb/AlSb superlattices with infrared laser applications. Journal of Vacuum Science and Technology Part B: Microelectronics and Nanometer Structures 2002, 20(1), 209-215. Kitchin MR, Shaw MJ, Corbin EA, Hagon JP, Jaros M. Modeling GaInAs/GaAsSb type-II superlattices grown on InP for optoelectronic applications. In: Proceedings of SPIE - The International Society for Optical Engineering. 2001, San Jose, CA: S P I E - International Society for Optical Engineering. Kitchin MR, Shaw MJ, Corbin EA, Hagon JP, Jaros M. Modeling GaInAs/GaAsSb type-II superlattices grown on InP for optoelectronic applications. In: Physics and Simulation of Optoelectronic Devices IX. 2001, San Jose, California, USA: SPIE. Corbin E, Shaw MJ, Kitchin MR, Hagon JP, Jaros M. Systematic study of type II Ga1-xInxSb/InAs superlattices for infra-red detection in the 10-12 μm wavelength range. Semiconductor Science and Technology 2001, 16(4), 263-272. Kitchin MR, Shaw MJ, Corbin E, Hagon JP, Jaros M. Absorption and emission spectra of InAs/Ga1-xInxSb/AlSb nanostructures for infrared applications. Applied Surface Science 2000, 166(1), 35-39. Kitchin MR, Shaw MJ, Corbin E, Hagon JP, Jaros M. Optical properties of imperfect strained-layer InAs/Ga1-xInxSb/AlSb superlattices with infrared applications. Physical Review B - Condensed Matter and Materials Physics 2000, 61(12), 8375-8381. Shaw MJ, Corbin EA, Kitchin MR, Hagon JP, Jaros M. Quantitative theory of scattering in Antimonide-based heterostructures with imperfect interfaces. Journal of Vacuum Science & Technology B 2000, 18(4), 2088-2095. Shaw MJ, Corbin EA, Kitchin MR, Hagon JP, Jaros M. Quantitative theory of scattering in antimonide-based heterostructures with imperfect interfaces. Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures 2000, 18(4), 2088-2095. Hagon JP, Shaw M, Corbin EA, Jaros M. Microscopic decription of electronic structure and scattering in disordered antimonide-based heterostructures. Journal of Vacuum Science and Technology. Part B 1999, 17(5), 2025-2029. Hagon JP, Corbin E, Williams C, Jaros M. Optical spectra and recombination in Si-Ge heterostructures. Thin Solid Films, 294(1-2), 186 - 189 1997.