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Taewon D. Kim
Taewon D. Kim
Ph.D. Chemistry
Dirección de correo verificada de mcmaster.ca
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Citado por
Citado por
Año
The influence of orbital rotation on the energy of closed-shell wavefunctions
PA Limacher, TD Kim, PW Ayers, PA Johnson, S De Baerdemacker, ...
Molecular Physics 112 (5-6), 853-862, 2014
712014
An explicit approach to conceptual density functional theory descriptors of arbitrary order
F Heidar-Zadeh, M Richer, S Fias, RA Miranda-Quintana, M Chan, ...
Chemical Physics Letters 660, 307-312, 2016
452016
Horton 2.0. 1
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
URL http://theochem. github. com/horton, 2015
312015
The HSAB principle from a finite-temperature grand-canonical perspective
RA Miranda-Quintana, TD Kim, C Cárdenas, PW Ayers
Theoretical Chemistry Accounts 136 (12), 1-6, 2017
242017
Strategies for extending geminal-based wavefunctions: Open shells and beyond
PA Johnson, PA Limacher, TD Kim, M Richer, RA Miranda-Quintana, ...
Computational and Theoretical Chemistry 1116, 207-219, 2017
172017
Horton 2.0. 0, 2015
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
Accessed: January 25, 2018
132018
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files
T Verstraelen, W Adams, L Pujal, A Tehrani, BD Kelly, L Macaya, F Meng, ...
Journal of Computational Chemistry 42 (6), 458-464, 2021
112021
On the impossibility of unambiguously selecting the best model for fitting data
RA Miranda-Quintana, TD Kim, F Heidar-Zadeh, PW Ayers
Journal of Mathematical Chemistry 57 (7), 1755-1769, 2019
102019
HORTON 2.1. 0 (2017)
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
8
Diversity and chemical library networks of large data sets
TB Dunn, GM Seabra, TD Kim, KE Juárez-Mercado, C Li, ...
Journal of Chemical Information and Modeling, 2021
72021
Chemoinformatic characterization of synthetic screening libraries focused on epigenetic targets
EA Flores‐Padilla, KE Juárez‐Mercado, JJ Naveja, TD Kim, ...
Molecular Informatics 41 (6), 2100285, 2022
52022
Extended continuous similarity indices: theory and application for QSAR descriptor selection
A Rácz, TB Dunn, D Bajusz, TD Kim, RA Miranda-Quintana, K Héberger
Journal of Computer-Aided Molecular Design 36 (3), 157-173, 2022
32022
Flexible ansatz for N-body configuration interaction
TD Kim, RA Miranda-Quintana, M Richer, PW Ayers
Computational and Theoretical Chemistry 1202, 113187, 2021
22021
Procrustes: A python library to find transformations that maximize the similarity between matrices
F Meng, M Richer, A Tehrani, J La, TD Kim, PW Ayers, F Heidar-Zadeh
Computer Physics Communications 276, 108334, 2022
2022
Fanpy: A Python Library for Prototyping Multideterminant Methods in Ab Initio Quantum Chemistry
TD Kim, M Richer, G Sánchez-Díaz, F Heidar-Zadeh, T Verstraelen, ...
arXiv preprint arXiv:2102.01224, 2021
2021
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