Publications

Search or filter publications

Search publications Search

Filter by type:

Filter by publication type

• Book
• Book chapter
• Conference paper
• Journal article
• Patent
• Report
• Software

Filter by year:

Filter from 2016201520142013201220112010200920082007 to Filter to 2016201520142013201220112010200920082007

---

Search results

• Conference paper
  Bailey CL, Mukhopadhyay S, Wander A, Searle BG, Harrison NMet al., 2008,

  First principles characterisation of aluminium trifluoride catalysts

  , Conference on Ab Initio Simulation of Crystalline Solids, Publisher: IOP PUBLISHING LTD, ISSN: 1742-6588
  • Author Web Link
  • Cite
  • Citations: 8
• Journal article
  Bailey CL, Wander A, Mukhopadhyay S, Searle BG, Harrison NMet al., 2008,

  Adsorption of HF and HCl on the β-AlF₃ (100) surface

  , PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 10, Pages: 2918-2924, ISSN: 1463-9076
  • Author Web Link
  • Cite
  • Citations: 13
• Conference paper
  Bailey CL, Mukhopadhyay S, Wander A, Harrison NMet al., 2008,

  Investigating the Lewis acidity of aluminium fluoride surfacesa

  , 17th International Vacuum Congress/13th International Conference on Surface Science/International Conference on Nanoscience and Technology, Publisher: IOP PUBLISHING LTD, ISSN: 1742-6588
  • Author Web Link
  • Cite
  • Citations: 1
• Journal article
  Hu JP, Payne DJ, Egdell RG, Harrison NM, Dhanak VRet al., 2007,

  The electronic structure of SrCu₂O₂ studied by synchrotron radiation excited photoemission and hybrid exchange density functional calculations

  , CHEMICAL PHYSICS LETTERS, Vol: 450, Pages: 39-43, ISSN: 0009-2614
  • Author Web Link
  • Cite
  • Citations: 7
• Journal article
  Pisani L, Valenti R, Montanari B, Harrison NMet al., 2007,

  Density functional study of the electronic and vibrational properties of TiOCl

  , PHYSICAL REVIEW B, Vol: 76, ISSN: 2469-9950
  • Author Web Link
  • Open Access Link
  • Cite
  • Citations: 10
• Conference paper
  Mukhopadhyay S, Bailey CL, Wander A, Searle BG, Muryn CA, Schroeder SLM, Lindsay R, Weiher N, Harrison NMet al., 2007,

  Stability of the AlF3 (0 1 (1)over-bar 2) surface in H2O and HF environments: An investigation using hybrid density functional theory and atomistic thermodynamics

  , 24th European Conference on Surface Science (ECOSS-24), Pages: 4433-4437, ISSN: 0039-6028
  • Cite
• Journal article
  Harrison NM, Bailey C, Mukhopadhyay S, Wander Aet al., 2007,

  FLUO 30-Predicting the composition, structure and surface chemistry of AlF3 from first principles

  , ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 234, ISSN: 0065-7727
  • Author Web Link
  • Cite
• Journal article
  Gross U, Ruediger S, Kemnitz E, Brzezinka K-W, Mukhopadhyay S, Bailey C, Wander A, Harrison Net al., 2007,

  Vibrational analysis study of aluminum trifluoride phases

  , JOURNAL OF PHYSICAL CHEMISTRY A, Vol: 111, Pages: 5813-5819, ISSN: 1089-5639
  • Author Web Link
  • Cite
  • Citations: 61
• Journal article
  Mallia G, Harrison NM, 2007,

  Magnetic moment and coupling mechanism of iron-doped rutile TiO₂ from first principles

  , PHYSICAL REVIEW B, Vol: 75, ISSN: 2469-9950
  • Author Web Link
  • Open Access Link
  • Cite
  • Citations: 47
• Software
  Dovesi R, Saunders VR, Roetti C, Orlando R, Zicovich-Wilson CM, Pascale F, Civalleri B, Doll K, Harrison NM, Bush IJ, D'Arco P, Llunell Met al., 2007,

  CRYSTAL06

  • Author Web Link
  • Open Access Link
  • Cite
• Journal article
  Pisani L, Chan JA, Montanari B, Harrison NMet al., 2007,

  Electronic structure and magnetic properties of graphitic ribbons

  , PHYSICAL REVIEW B, Vol: 75, ISSN: 1098-0121
  • Author Web Link
  • Open Access Link
  • Cite
  • Citations: 579
• Conference paper
  Tomic S, Harrison NM, Jones TS, 2007,

  Electronic Structure of QD Arrays: Application to Intermediate-Band Solar Cells

  , NY, 7th International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD '07), Publisher: IEEE
  • Cite
• Report
  Bailey CL, Wander A, Mukhopadhyay S, Searle BG, Harrison NMet al., 2007,

  Ab Initio Surface Thermodynamics in Multi Component Environment

  , DL Technical Report, Daresbury Laboratory, Publisher: STFC Daresbury Laboratory, DL-TR-2007-004
  • Publisher Web Link
  • Open Access Link
  • Cite
• Conference paper
  Tomic S, Howe P, Harrison NM, Jones TSet al., 2007,

  Analysis of strain-decay in InAs/GaAs(001) multilayer quantum dot growth

  , 28th International Conference on the Physics of Semiconductors (ICPS-28), Publisher: AMER INST PHYSICS, Pages: 89-+, ISSN: 0094-243X
  • Author Web Link
  • Cite
• Report
  Bailey CL, Wander A, Searle BG, Harrison NMet al.,

  Implementation of Nudged Elastic Band in CRYSTAL

  , Dl Technical Report, Publisher: STFC Daresbury Laboratory, DL-TR-2005-003
  • Publisher Web Link
  • Open Access Link
  • Cite
• Report
  Tomic S, Searle BG, Wander A, Harrison NM, Dent A, Mosselmans JFW, Inglesfield JEet al.,

  The DL EXCURV Package

  , The DL EXCURV Package, Publisher: STFC Daresbury Laboratory, DL-TR-2005-001
  • Publisher Web Link
  • Open Access Link
  • Cite

This data is extracted from the Web of Science and reproduced under a licence from Thomson Reuters. You may not copy or re-distribute this data in whole or in part without the written consent of the Science business of Thomson Reuters.