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Christopher Rowley
Christopher Rowley
Associate Professor of Chemistry, Carleton University
Verified email at cunet.carleton.ca - Homepage
Title
Cited by
Cited by
Year
Catalytic intermolecular direct arylation of perfluorobenzenes
M Lafrance, CN Rowley, TK Woo, K Fagnou
Journal of the American Chemical Society 128 (27), 8754-8756, 2006
8632006
Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities
AL Hickey, CN Rowley
The Journal of Physical Chemistry A 118 (20), 3678-3687, 2014
2162014
The Solvation Structure of Na+ and K+ in Liquid Water Determined from High Level ab Initio Molecular Dynamics Simulations
CN Rowley, B Roux
Journal of chemical theory and computation 8 (10), 3526-3535, 2012
1922012
Simulation-based approaches for determining membrane permeability of small compounds
CT Lee, J Comer, C Herndon, N Leung, A Pavlova, RV Swift, C Tung, ...
Journal of chemical information and modeling 56 (4), 721-733, 2016
1712016
Ion selectivity in channels and transporters
B Roux, S Bernèche, B Egwolf, B Lev, SY Noskov, CN Rowley, H Yu
Journal of general physiology 137 (5), 415-426, 2011
1572011
Theoretical and Synthetic Investigations of Carbodiimide Insertions into Al−CH3 and Al−N(CH3)2 Bonds
CN Rowley, GA DiLabio, ST Barry
Inorganic chemistry 44 (6), 1983-1991, 2005
1222005
Molecular simulation of nonfacilitated membrane permeation
E Awoonor-Williams, CN Rowley
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1672-1687, 2016
1122016
Why can hydrogen sulfide permeate cell membranes?
S Riahi, CN Rowley
Journal of the American Chemical Society 136 (43), 15111-15113, 2014
872014
Evaluation of Methods for the Calculation of the pKa of Cysteine Residues in Proteins
E Awoonor-Williams, CN Rowley
Journal of chemical theory and computation 12 (9), 4662-4673, 2016
812016
A ‘universal’B3LYP-based method for gas-phase molecular properties: bond dissociation enthalpy, ionization potential, electron and proton affinity and gas-phase acidity
JS Wright*, CN Rowley, LL Chepelev
Molecular Physics 103 (6-8), 815-823, 2005
752005
Modeling covalent-modifier drugs
E Awoonor-Williams, AG Walsh, CN Rowley
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1865 (11), 1664-1675, 2017
712017
Solution conformation of C-linked antifreeze glycoprotein analogues and modulation of ice recrystallization
RY Tam, CN Rowley, I Petrov, T Zhang, NA Afagh, TK Woo, RN Ben
Journal of the American Chemical Society 131 (43), 15745-15753, 2009
712009
Range-separated DFT functionals are necessary to model thio-Michael additions
JM Smith, Y Jami Alahmadi, CN Rowley
Journal of Chemical Theory and Computation 9 (11), 4860-4865, 2013
692013
Synthesis and thermolysis of aluminum amidinates: A ligand-exchange route for new mixed-ligand systems
AL Brazeau, Z Wang, CN Rowley, ST Barry
Inorganic chemistry 45 (5), 2276-2281, 2006
672006
Ring-opening hydroarylation of monosubstituted cyclopropanes enabled by hexafluoroisopropanol
E Richmond, J Yi, VD Vuković, F Sajadi, CN Rowley, J Moran
Chemical science 9 (30), 6411-6416, 2018
582018
DFT study of the isomerization and spectroscopic/structural properties of ruthenacyclobutane intermediates relevant to olefin metathesis
CN Rowley, EF van der Eide, WE Piers, TK Woo
Organometallics 27 (23), 6043-6045, 2008
582008
The CHARMM–TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties
S Riahi, CN Rowley
Journal of computational chemistry 35 (28), 2076-2086, 2014
552014
Suzuki–Miyaura Coupling of (Hetero) Aryl Sulfones: Complementary Reactivity Enables Iterative Polyaryl Synthesis
P Chatelain, A Sau, CN Rowley, J Moran
Angewandte Chemie International Edition 58 (42), 14959-14963, 2019
492019
Polarisable force fields: what do they add in biomolecular simulations?
VSS Inakollu, DP Geerke, CN Rowley, H Yu
Current Opinion in Structural Biology 61, 182-190, 2020
482020
Evaluating force-field London dispersion coefficients using the exchange-hole dipole moment model
M Mohebifar, ER Johnson, CN Rowley
Journal of Chemical Theory and Computation 13 (12), 6146-6157, 2017
482017
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