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Rowley Group

Computational chemistry at the end of the earth.

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November 17, 2017

Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model→

November 17, 2017/ Christopher Rowley
Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model

Mohebifar, M., Johnson, E.R., Rowley, C. N. J. Chem. Theory Comput., 2017, doi: 10.1021/acs.jctc.7b00522  [preprint]

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November 17, 2017/ Christopher Rowley/ /Source
methods, Mohebifar
XDM, force field, molecular mechanics, QM
November 28, 2013

A Drude Polarizable Force Field for Liquid Hydrogen Sulfide→

November 28, 2013/ Christopher Rowley
A Drude Polarizable Force Field for Liquid Hydrogen Sulfide

Riahi, S., Rowley, C.N. J. Phys. Chem. B 2013, 117 (17), 5222–5229 [OA]

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November 28, 2013/ Christopher Rowley/ /Source
polarizable, sulfur, force field
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Rowley Group

Contact

Christopher Rowley
Department of Chemistry
Carleton University
1125 Colonel By Dr
Ottawa, ON K1S 5B6
Canada

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Phone: 613-520-2600, ext. 1647

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Rowley Group