Dennis Russell Salahub

Affiliations: 
1976-1999 Chemistry Université de Montréal, Montréal, Canada 
 2002- University of Calgary, Calgary, Alberta, Canada 
Area:
theoretical chemistry, computational chemistry,
Google:
"Dennis Salahub"
Bio:

http://pubs.acs.org/doi/pdf/10.1021/ct700061e

Mean distance: 39813
 
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Publications

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Galvão BRL, Viegas LP, Salahub DR, et al. (2020) Reliability of semiempirical and DFTB methods for the global optimization of the structures of nanoclusters. Journal of Molecular Modeling. 26: 303
de la Lande A, Alvarez-Ibarra A, Hasnaoui K, et al. (2019) Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review. Molecules (Basel, Switzerland). 24
Wu X, Teuler JM, Cailliez F, et al. (2017) Simulating Electron Dynamics in Polarizable Environments. Journal of Chemical Theory and Computation
Manin N, da Silva MC, Zdravkovic I, et al. (2016) LiCl solvation in N-methyl-acetamide (NMA) as a model for understanding Li(+) binding to an amide plane. Physical Chemistry Chemical Physics : Pccp
Ngo V, da Silva MC, Kubillus M, et al. (2015) Quantum Effects in Cation Interactions with First and Second Coordination Shell Ligands in Metalloproteins. Journal of Chemical Theory and Computation. 11: 4992-5001
de la Lande A, Moliner V, Salahub D. (2015) Measurement and prediction of quantum coherence effects in biological processes. Physical Chemistry Chemical Physics : Pccp
de la Lande A, Gillet N, Chen S, et al. (2015) Progress and Challenges in Simulating and Understanding Electron Transfer in Proteins. Archives of Biochemistry and Biophysics
Salahub DR, Noskov SY, Lev B, et al. (2015) QM/MM calculations with deMon2k. Molecules (Basel, Switzerland). 20: 4780-812
Liu X, Salahub DR. (2015) Molybdenum carbide nanocatalysts at work in the in situ environment: a density functional tight-binding and quantum mechanical/molecular mechanical study. Journal of the American Chemical Society. 137: 4249-59
Li H, Ngo V, Da Silva MC, et al. (2015) Representation of Ion-Protein Interactions Using the Drude Polarizable Force-Field. The Journal of Physical Chemistry. B. 119: 9401-16
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