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Mark McGregor Law

Dr

    • AB24 3UE

    • 242 Citations
    19992019
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    Research Output 1999 2019

    • 242 Citations
    • 18 Article
    • 1 Letter
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    Article
    2019

    Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculations

    Mant, B. P., Law, M. M. & Strasburger, K., 23 Aug 2019, In : Journal of Physics B: Atomic and Molecular Physics. 52, 18, 185201.

    Research output: Contribution to journalArticle

    Open Access
    File
    potential energy
    rigid rotors
    hydrogen
    scattering
    atoms
    2018
    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
    2013

    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
    2012
    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
    2010
    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
    14 Citations (Scopus)

    Infrared Spectra of CF2=CHD and CF2=CD2; Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-Difluoroethylene

    McKean, D. C., Law, M. M., Groner, P., Conrad, A. R., Tubergen, M. J., Feller, D., Moore, M. C. & Craig, N. C., 2 Sep 2010, In : Journal of Physical Chemistry A. 114, 34, p. 9309-9318 10 p.

    Research output: Contribution to journalArticle

    field theory (physics)
    infrared spectra
    Infrared radiation
    harmonics
    microwave spectra
    2008
    40 Citations (Scopus)

    Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity

    McKean, D. C., Craig, N. C. & Law, M. M., 24 Jul 2008, In : Journal of Physical Chemistry A. 112, 29, p. 6760-6771 12 p.

    Research output: Contribution to journalArticle

    7 Citations (Scopus)

    Vibrational anharmonicity and harmonic force fields for dichloromethane from quantum-chemical calculations

    McKean, D. C., Craig, N. C. & Law, M. M., 2008, In : Journal of Physical Chemistry A. 112, 40, p. 10006-10016 11 p.

    Research output: Contribution to journalArticle

    2005
    37 Citations (Scopus)

    Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene

    Kozin, I. N., Law, M. M., Tennyson, J. & Hutson, J. M., 2005, In : The Journal of Chemical Physics. 122, 9 p.

    Research output: Contribution to journalArticle

    Calculation energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene.

    Kozin, I. N., Law, M. M., Tennyson, J. & Hutson, J. M., 2005, In : The Journal of Chemical Physics. 122, 064309

    Research output: Contribution to journalArticle

    8 Citations (Scopus)

    Effective computation of matrix elements between polynomial basis functions

    Kozin, I. N., Tennyson, J. & Law, M. M., 2005, In : Computer Physics Communications. 165, 165, p. 10-14 4 p.

    Research output: Contribution to journalArticle

    2004
    41 Citations (Scopus)

    New vibration-rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4

    Kozin, I. N., Law, M. M., Tennyson, J. & Hutson, J. M., 2004, In : Computer Physics Communications. 163, p. 117-131 14 p.

    Research output: Contribution to journalArticle

    2003
    24 Citations (Scopus)

    Calculating energy levels of isomerizing tetraatomic molecules: I. The rovibrational bound states of Ar2HF

    Kozin, I. N., Law, M. M., Hutson, J. M. & Tennyson, J., 2003, In : The Journal of Chemical Physics. 118, p. 4896-4904 8 p.

    Research output: Contribution to journalArticle

    2002
    6 Citations (Scopus)

    The anharmonic potential energy surface of methyl fluoride

    Atkinson, I. A. & Law, M. M., 2002, In : Spectrochimica Acta Part A. 58, p. 873-885 12 p.

    Research output: Contribution to journalArticle

    2001
    6 Citations (Scopus)

    The Fourier Transform Infrared Spectra of CH2DF: the v5 and v6 bands

    Atkinson, I. A. & Law, M. M., 2001, In : Journal of Molecular Spectroscopy. 206, p. 135-138 3 p.

    Research output: Contribution to journalArticle

    15 Citations (Scopus)

    The general harmonic force field of methyl chloride

    Black, G. M. & Law, M. M., 2001, In : Journal of Molecular Spectroscopy. 205, p. 280-285 5 p.

    Research output: Contribution to journalArticle

    1999
    26 Citations (Scopus)