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Mark McGregor Law

Dr

    • AB24 3UE

    • 240 Citations
    19992018
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    • 2 Similar Profiles
    infrared spectra Physics & Astronomy
    Potential energy surfaces Chemical Compounds
    harmonics Physics & Astronomy
    Infrared radiation Chemical Compounds
    potential energy Physics & Astronomy
    field theory (physics) Physics & Astronomy
    Molecules Chemical Compounds
    molecules Physics & Astronomy

    Research Output 1999 2018

    • 240 Citations
    • 17 Article
    • 1 Letter
    7 Downloads (Pure)

    Gaussian basis functions for highly oscillatory scattering wavefunctions

    Mant, B. P. & Law, M. M., 19 Mar 2018, In : Journal of Physics B: Atomic, Molecular and Optical Physics. 51, 7, 075203.

    Research output: Contribution to journalArticle

    Open Access
    File
    scattering
    hydrogen atoms
    potential energy
    matrices
    atoms

    Computational studies of bridging structures and isomerism in substituted disilynes

    Serafin, L. M., Law, M. M. & van Mourik, T., 2013, In : Journal of Chemical Theory and Computation. 9, 6, p. 2697–2705 9 p.

    Research output: Contribution to journalArticle

    Molecules
    molecules
    costs
    harmonics
    vibration

    The vibrational bound states of isomerising disilyne

    Law, M. M. & Perotto, C. U., 2013, In : The Journal of Chemical Physics. 139, 6, 9 p., 064308.

    Research output: Contribution to journalArticle

    Wave functions
    vibrational states
    Acetylene
    Potential energy surfaces
    vinylidene
    4 Citations (Scopus)

    The potential energy surface of isomerising disilyne

    Law, M. M., Fraser-Smith, J. T. & Perotto, C. U., 21 May 2012, In : Physical Chemistry Chemical Physics. 14, 19, p. 6922–6936 15 p.

    Research output: Contribution to journalArticle

    Potential energy surfaces
    potential energy
    Isomers
    critical point
    isomers
    14 Citations (Scopus)

    Infrared spectra of 12CF2=12CH2 and 12CF2=13CH2, quantum-chemical calculations of anharmonicity, and analyses of resonances

    McKean, D. C., van der Veken, B., Herrebout, W., Law, M. M., Brenner, M. J., Nemchick, D. J. & Craig, N. C., 13 May 2010, In : Journal of Physical Chemistry A. 114, 18, p. 5728-5742 15 p.

    Research output: Contribution to journalArticle

    infrared spectra
    Infrared radiation
    frequency assignment
    harmonics
    Argon