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Anand H. G. Patel
Anand H. G. Patel
McMaster University
Chemistry
Computational chemistry
Reactivity (chemistry)
Density functional theory
Electron
5
Papers
53
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Exploring the substrate selectivity of human sEH and M. tuberculosis EHB using QM/MM
2017
Structural Chemistry
Sandra Rabi
Anand H. G. Patel
Steven K. Burger
Toon Verstraelen
Paul W. Ayers
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Citations (6)
Benchmarking pKa prediction methods for Lys115 in acetoacetate decarboxylase
2017
Journal of Molecular Modeling
Yuli Liu
Anand H. G. Patel
Steven K. Burger
Paul W. Ayers
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Citations (2)
Finite Field Method for Nonlinear Optical Property Prediction Using Rational Function Approximants
2017
Journal of Physical Chemistry A
Anand H. G. Patel
Ahmed A. K. Mohammed
Peter A. Limacher
Paul W. Ayers
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Citations (5)
An explicit approach to conceptual density functional theory descriptors of arbitrary order
2016
Chemical Physics Letters
Farnaz Heidar-Zadeh
Michael Richer
Stijn Fias
Ramón Alain Miranda-Quintana
Matthew Chan
Marco Franco-Pérez
Cristina E. González-Espinoza
Taewon David Kim
Caitlin Lanssens
Anand H. G. Patel
Xiaotian Derrick Yang
Esteban Vöhringer-Martinez
Carlos Cárdenas
Toon Verstraelen
Paul W. Ayers
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Citations (29)
Communication: Two types of flat-planes conditions in density functional theory
2016
Journal of Chemical Physics
Xiaotian Derrick Yang
Anand H. G. Patel
Ramón Alain Miranda-Quintana
Farnaz Heidar-Zadeh
Cristina E. González-Espinoza
Paul W. Ayers
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Citations (11)
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