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Rowley Group

Computational chemistry at the end of the earth.

Publications

Rowley Group

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October 28, 2015

A Polarizable Force Field with a Sigma-Hole for Liquid and Aqueous Bromomethane→

October 28, 2015/ Christopher Rowley
A Polarizable Force Field with a Sigma-Hole for Liquid and Aqueous Bromomethane

Adluri, A. N. S., Murphy, J. N, Tozer, T., Rowley, C.N. J. Phys. Chem. B 2015, doi: 10.1021/acs.jpcb.5b09041 [Free ACS AOR]

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October 28, 2015/ Christopher Rowley/ /Source
polarizable, AIMD
November 28, 2014

The CHARMM-TURBOMOLE Interface for Efficient and Accurate QM/MM Molecular Dynamics, Free Energies, and Excited State Properties.→

November 28, 2014/ Christopher Rowley
The CHARMM-TURBOMOLE Interface for Efficient and Accurate QM/MM Molecular Dynamics, Free Energies, and Excited State Properties.

Riahi, S., Rowley C.N. J. Comput. Chem. 2014, 35, 2076–2086. doi: 10.1002/jcc.23716 [PDF preprint]

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November 28, 2014/ Christopher Rowley/ /Source
QM/MM, ions, polarizable
November 28, 2014

Why Can Hydrogen Sulfide Permeate Cell Membranes?→

November 28, 2014/ Christopher Rowley
Why Can Hydrogen Sulfide Permeate Cell Membranes?

Riahi, S., Rowley C.N.  J. Am. Chem. Soc. 2014, 136 (43), 15111–15113, doi: 10.1021/ja508063s [Open Access PDF]

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November 28, 2014/ Christopher Rowley/ /Source
polarizable, hydrogen sulfide, JACS, membrane
April 28, 2014

Solvation of Hydrogen Sulfide in Liquid Water and at the Water/Vapor Interface Using a Polarizable Force Field→

April 28, 2014/ Christopher Rowley
Solvation of Hydrogen Sulfide in Liquid Water and at the Water/Vapor Interface Using a Polarizable Force Field

Riahi, S., Rowley, C.N.  J. Phys. Chem. B, 2014, 118 (5), 1373–1380 [Free ACS AOR]

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April 28, 2014/ Christopher Rowley/ /Source
polarizable, sulfur, hydrogen sulfide
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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