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Rowley Group

Computational chemistry at the end of the earth.

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Rowley Group

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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
October 28, 2013

Range-Separated DFT Functionals are Necessary to Model Thio-Michael Additions.→

October 28, 2013/ Christopher Rowley
Range-Separated DFT Functionals are Necessary to Model Thio-Michael Additions.

Smith, J. M., Jami Alahmadi, Y., Rowley, C.N.  J. Chem. Theory Comput. 2013, 9 (11), 4860–4865 [OA]

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October 28, 2013/ Christopher Rowley/ /Source
April 28, 2013

 QM/MM Molecular Dynamics Simulations of the Hydration of Mg(II) and Zn(II) Ions→

April 28, 2013/ Christopher Rowley
 QM/MM Molecular Dynamics Simulations of the Hydration of Mg(II) and Zn(II) Ions

Riahi, S., Roux, B., Rowley, C.N. Can. J. Chem. 2013, 91(7), 552–558, special issue in honour of Dennis Salahub [PDF postprint]

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April 28, 2013/ Christopher Rowley/ /Source
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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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