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Matthew Chan
Matthew Chan
Dirección de correo verificada de mcmaster.ca
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Assessing the accuracy of new geminal-based approaches
P Tecmer, K Boguslawski, PA Johnson, PA Limacher, M Chan, ...
The Journal of Physical Chemistry A 118 (39), 9058-9068, 2014
902014
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
542016
Horton 2.0. 1
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
URL http://theochem. github. com/horton, 2015
332015
Anharmonic vibrations of the carboxyl group in acetic acid on TiO 2: implications for adsorption mode assignment in dye-sensitized solar cells
M Chan, T Carrington, S Manzhos
Physical Chemistry Chemical Physics 15 (25), 10028-10034, 2013
282013
Parameterized bases for calculating vibrational spectra directly from ab initio data using rectangular collocation
M Chan, S Manzhos, T Carrington Jr, K Yamashita
Journal of Chemical Theory and Computation 8 (6), 2053-2061, 2012
232012
Communication: Favorable dimensionality scaling of rectangular collocation with adaptable basis functions up to 7 dimensions
S Manzhos, M Chan, T Carrington
The Journal of Chemical Physics 139 (5), 2013
212013
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
202021
Horton 2.0. 0, 2015
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
Accessed: January 25, 2018
132018
Towards accurate spectroscopic identification of species at catalytic surfaces: anharmonic vibrations of formate on AuPt
M Chan, K Yamashita, T Carrington, S Manzhos
MRS Online Proceedings Library (OPL) 1484, imrc12-1484-7a-0016, 2012
112012
HORTON 2.1. 0; 2017
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
7
A Diagonally Updated Limited-Memory Quasi-Newton Method for the Weighted Density Approximation
M Chan, R Cuevas-Saavedra, D Chakraborty, PW Ayers
Computation 5 (4), 42, 2017
12017
A Gradient Corrected Two-Point Weighted Density Approximation for Exchange Energies
R Cuevas-Saavedra, D Chakraborty, M Chan, PW Ayers
Many-body Approaches at Different Scales: A Tribute to Norman H. March on …, 2018
2018
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–12