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Xiaotian Derrick Yang
Xiaotian Derrick Yang
McMaster University
Computational chemistry
Density functional theory
Chemistry
Electron
Interoperability
3
Papers
41
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IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files.
2021
Journal of Computational Chemistry
Toon Verstraelen
William Adams
Leila Pujal
Alireza Tehrani
Braden D. Kelly
Luis Macaya
Fanwang Meng
Michael Richer
Raymundo Hernández-Esparza
Xiaotian Derrick Yang
Matthew Chan
Taewon David Kim
Maarten Cools‐Ceuppens
Valerii S. Chuiko
Esteban Vöhringer-Martinez
Paul W. Ayers
Farnaz Heidar-Zadeh
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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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