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Cristina E. González-Espinoza
Cristina E. González-Espinoza
Blue Brain Project - EPFL
Verified email at epfl.ch - Homepage
Title
Cited by
Cited by
Year
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 084801, 2021
1902021
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
442016
Horton 2.0. 1
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
URL http://theochem. github. com/horton, 2015
312015
Communication: Two types of flat-planes conditions in density functional theory
XD Yang, AHG Patel, RA Miranda-Quintana, F Heidar-Zadeh, ...
The Journal of Chemical Physics 145 (3), 031102, 2016
162016
Binary Blends of Polyimide and Benzothienobenzothiophene for High-Performance Solution-Processed Organic Phototransistors
D Ljubic, W Liu, CE González-Espinoza, NX Hu, Y Wu, S Zhu
Advance Electronic Materials, 1700284, 2017
142017
Horton 2.0. 0, 2015
T Verstraelen, P Tecmer, F Heidar-Zadeh, K Boguslawski, M Chan, ...
Accessed: January 25, 2018
132018
Frontiers in multiscale modeling of photoreceptor proteins
MA Mroginski, S Adam, GS Amoyal, A Barnoy, AN Bondar, VA Borin, ...
Photochemistry and Photobiology 97 (2), 243-269, 2021
112021
HORTON 2.1. 0 (2017)
T Verstraelen, P Tecmer, F Heidar-Zadeh, CE González-Espinoza, ...
8
Smooth models for the Coulomb potential
CE González-Espinoza, PW Ayers, J Karwowski, A Savin
Theoretical Chemistry Accounts 135 (12), 1-12, 2016
72016
Electron correlation effects of the ThO and ThS molecules in the spinor basis. A relativistic coupled cluster study of ground and excited states properties
P Tecmer, CE González-Espinoza
Physical Chemistry Chemical Physics 20 (36), 23424-23432, 2018
52018
Embedding non-rigid solutes in an averaged environment: a case study on rhodopsins
N Ricardi, CE González-Espinoza, S Adam, J Church, I Schapiro, ...
32021
A non-decomposable approximation on the complete density function space for the non-additive kinetic potential
E Polak, CE González-Espinoza, MJ Gander, TA Wesolowski
The Journal of Chemical Physics 156 (4), 044103, 2022
12022
Benchmark of the Extension of Frozen-Density Embedding Theory to Nonvariational Correlated Methods: The Embedded-MP2 Case
R Sen, CE González-Espinoza, A Zech, A Dreuw, TA Wesolowski
Journal of Chemical Theory and Computation 17 (7), 4049-4062, 2021
12021
N-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarization
N Ricardi, CE González-Espinoza, TA Wesołowski
The Journal of Chemical Physics 157 (6), 064108, 2022
2022
Quantifying Fluctuations of Average Solvent Environments for Embedding Calculations
CE González-Espinoza, CA Rumble, D Borgis, TA Wesolowski
Journal of Chemical Theory and Computation 18 (2), 1072-1088, 2022
2022
Experimental and theoretical insights into the trans influence of organo-sulfur and-selenium ligands in 5, 6-membered palladium (ii) cationic pincer complexes based on …
A Rodríguez-Álvarez, CE González-Espinoza, CG Martínez-De-León, ...
New Journal of Chemistry 46 (19), 9344-9356, 2022
2022
Systematic improvement of approximations with smooth Coulomb potentials
CE Gonzalez-Espinoza, T Verstraelen, P Ayers, A Savin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
Hypergeometic resummation of the Moller-Plesset perturbation series for strongly correlated systems
A Patel, N Abbas, CE Gonzalez-Espinoza, P Ayers
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
Systematic improvement of approximations with smooth models of the Coulomb potential
CE Gonzalez Espinoza
2018
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Articles 1–19