Dr Mark Law
BSc PhD (Aberd)
Senior Lecturer
- About
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- Research
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Research Overview
The expertise of Mark Law’s research group lies in the area of “molecular quantum dynamics”. That is, calculating quantum state energies, wavefunctions and potential energy curves. Such information on vibration-rotation-electronic quantum states of molecules is critical to the understanding of many branches of chemistry and other fields, including spectroscopy, astronomy, nanotechnology, combustion science, atmospheric science, surface chemistry and molecular modelling.
Our work also includes quantum scattering and bound-state calculations on antimatter interacting with normal matter. There is considerable academic and practical interest in the interaction of antimatter with atoms and molecules. For example, antimatter is used in medical PET scanning ("Positron Emission Tomography") and in positron-annihilation-lifetime spectroscopy (PALS) for materials characterisation, whilst one possible future use for antiprotons is in "antiproton-beam cancer therapy".
- Teaching
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Teaching Responsibilities
Dr Law teaches in the following courses:
- CM1021 Chemistry for the Physical Sciences 1
- CM1022 Elements of Chemistry 1
- CM2015 Energetics of Change in Chemical and Biological Processes
- CM30PS/PX30PS Professional Skills for Physics and Chemistry
- CM3536 Molecular Structure and Reactivity (Quantum Chemistry)
- CM4037/CM4537 Honours/Advanced Chemistry
Dr Law is a Personal Tutor and Level 4 Chemistry Course Coordinator.
- Publications
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Page 1 of 1 Results 1 to 19 of 19
Hydrogen molecule-antihydrogen atom potential energy surface and scattering calculations
Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 52, no. 18, 185201Contributions to Journals: ArticlesGaussian basis functions for highly oscillatory scattering wavefunctions
Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 51, no. 7, 075203Contributions to Journals: ArticlesComputational studies of bridging structures and isomerism in substituted disilynes
Journal of Chemical Theory and Computation, vol. 9, no. 6, pp. 2697–2705Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/ct400324w
The vibrational bound states of isomerising disilyne
The Journal of Chemical Physics, vol. 139, no. 6, 064308Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1063/1.4817533
The potential energy surface of isomerising disilyne
Physical Chemistry Chemical Physics, vol. 14, no. 19, pp. 6922–6936Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1039/C2CP40605E
Infrared Spectra of CF2=CHD and CF2=CD2; Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-Difluoroethylene
Journal of Physical Chemistry A, vol. 114, no. 34, pp. 9309-9318Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/jp104498n
Infrared spectra of 12CF2=12CH2 and 12CF2=13CH2, quantum-chemical calculations of anharmonicity, and analyses of resonances
Journal of Physical Chemistry A, vol. 114, no. 18, pp. 5728-5742Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/jp100438z
Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity
Journal of Physical Chemistry A, vol. 112, no. 29, pp. 6760-6771Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/jp800628x
Vibrational anharmonicity and harmonic force fields for dichloromethane from quantum-chemical calculations
Journal of Physical Chemistry A, vol. 112, no. 40, pp. 10006-10016Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/jp803881c
Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene
The Journal of Chemical Physics, vol. 122Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1063/1.1850471
Calculation energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene.
The Journal of Chemical Physics, vol. 122, no. 064309Contributions to Journals: ArticlesEffective computation of matrix elements between polynomial basis functions
Computer Physics Communications, vol. 165, no. 165, pp. 10-14Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1016/j.cpc.2003.12.007
New vibration-rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4
Computer Physics Communications, no. 163, pp. 117-131Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1016/j.cpc.2004.07.005
Calculating energy levels of isomerizing tetraatomic molecules: I. The rovibrational bound states of Ar2HF
The Journal of Chemical Physics, vol. 118, pp. 4896-4904Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1063/1.1545109
The anharmonic potential energy surface of methyl fluoride
Spectrochimica Acta Part A, vol. 58, pp. 873-885Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1016/S1386-1425(01)00675-8
Book review - Infrared Vibration-Rotation Spectroscopy - From Free Radicals to the Infrared Sky (ed. Duxbury,G.)
Talanta, vol. 53Contributions to Journals: Letters- [ONLINE] DOI: https://doi.org/10.1016/S0039-9140(00)00561-0
The Fourier Transform Infrared Spectra of CH2DF: the v5 and v6 bands
Journal of Molecular Spectroscopy, vol. 206, pp. 135-138Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1006/jmsp.2001.8299
The general harmonic force field of methyl chloride
Journal of Molecular Spectroscopy, vol. 205, pp. 280-285Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1006/jmsp.2000.8275
Joint local- and normal-mode studies of the overtone spectra of the methyl halides: CH3F, CH3Cl, CH3Br, CD3Br, and CH3I
The Journal of Chemical Physics, vol. 111, pp. 10021-10033Contributions to Journals: Articles