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- J M Gorell, M M Law, O H Lowry, J A Ferrendelli
- Journal of neurochemistry
- 1977

- M W Casewell, M M Law, N Desai
- The Journal of hospital infection
- 1988

A model for the laboratory assessment of hygienic hand disinfection is described which closely reproduces handwashing in a ward setting. The model uses a clinically relevant test organism and takes into account the natural antibacterial action of the skin. It also provides a means of measuring any residual antibacterial action after hand disinfection. Using… (More)

- Donald C McKean, Norman C Craig, Mark M Law
- The journal of physical chemistry. A
- 2008

Potential functions and harmonic (omega(i)) and anharmonic (nu(i)) fundamental frequencies have been calculated for 1,1-difluorocyclopropane (DFCP) and its d4 and d2 isotopomers using the program Gaussian 03. B3LYP and MP2 models were employed, each with the bases 6-311++G** and cc-pVTZ. Anharmonicity corrections Delta(i) = omega(i) - nu(i) are listed and… (More)

- Igor N. Kozin, Jonathan Tennyson, Mark M. Law
- Computer Physics Communications
- 2005

Two methods of evaluating matrix elements of a function in a polynomial basis are considered: the expansion method, where the function is expanded in the basis and the integrals are evaluated analytically, and the numerical method, where the integration is performed directly using numerical quadrature. A reduced grid is proposed for the latter which makes… (More)

- M M Law
- Canadian Medical Association journal
- 1985

- Igor N. Kozin, Mark M. Law, Jonathan Tennyson, Jeremy M. Hutson
- Computer Physics Communications
- 2004

A general computational method for the accurate calculation of rotationally and vibrationally excited states of tetraatomic molecules is developed. The resulting program is particularly appropriate for molecules executing wide-amplitude motions and isomerizations. The program offers a choice of coordinate systems based on Radau, Jacobi, diatom–diatom and… (More)

- A Phillips, D de Savigny, M M Law
- CMAJ : Canadian Medical Association journal…
- 1995

Although rates of tobacco smoking in Canada have dropped dramatically over the last 30 years this is not a global trend. For every tonne of tobacco that Canadian adults gave up between 1970 and 1990, aggressive marketing by multinational tobacco companies has ensured that an additional 20 tonnes is now consumed in developing countries. The authors describe… (More)

- E K Barbehenn, M M Law, J G Brown, O H Lowry
- Analytical biochemistry
- 1976

- Steven A Manson, Mark M Law
- Physical chemistry chemical physics : PCCP
- 2006

New internal coordinate gradients, s-vectors, are derived using geometric algebra. The internal coordinates are based on a completely general description of the molecular geometry in terms of internal vectors. The internal coordinate gradients allow kinetic energy operators to be easily expressed in terms of orthogonal or non-orthogonal coordinate systems.… (More)

- Lukasz M Serafin, Mark M Law, Tanja van Mourik
- Journal of chemical theory and computation
- 2013

The substituted disilyne molecules, Si2Li2 and Si2HX, where X = Li, F, and Cl, have been investigated using the high-level CCSD(T) and CCSD(T)-F12 ab initio methods. The calculations have found or confirmed the existence of several isomeric forms and transition states for each molecule. Optimized geometries, relative energies, and harmonic vibration… (More)