Christopher Rowley
Christopher Rowley
Associate Professor of Chemistry, Memorial University of Newfoundland
Verifierad e-postadress på mun.ca - Startsida
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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
7722006
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
1502012
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
1482014
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
1422011
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
1132016
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
1132005
Molecular simulation of nonfacilitated membrane permeation
E Awoonor-Williams, CN Rowley
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1672-1687, 2016
772016
Why can hydrogen sulfide permeate cell membranes?
S Riahi, CN Rowley
Journal of the American Chemical Society 136 (43), 15111-15113, 2014
682014
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
672009
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
572006
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
532005
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
502008
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
442016
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
432013
Amidolithium and Amidoaluminum Catalyzed Synthesis of Substituted Guanidines: An Interplay of DFT Modeling and Experiment
CN Rowley, TG Ong, J Priem, TK Woo, DS Richeson
Inorganic chemistry 47 (20), 9660-9668, 2008
412008
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
392014
Modeling covalent-modifier drugs
E Awoonor-Williams, AG Walsh, CN Rowley
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1865 (11), 1664-1675, 2017
382017
QM/MM molecular dynamics simulations of the hydration of Mg (II) and Zn (II) ions
S Riahi, B Roux, CN Rowley
Canadian Journal of Chemistry 91 (7), 552-558, 2013
372013
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
322018
Analysis of the critical step in catalytic carbodiimide transformation: Proton transfer from amines, phosphines, and alkynes to guanidinates, phosphaguanidinates, and …
CN Rowley, TG Ong, J Priem, DS Richeson, TK Woo
Inorganic chemistry 47 (24), 12024-12031, 2008
302008
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Artiklar 1–20