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Journal of Chemical Theory and Computation
|
November 21, 2015
Metropolis Evaluation of the Hartree-Fock Exchange Energy
Yael Cytter, Daniel Neuhauser, Roi Baer
The Journal of Physical Chemistry. A
|
December 15, 2015
Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory
Daniel Neuhauser, Eran Rabani, Yael Cytter, et al.
The Journal of Physical Chemistry Letters
|
May 17, 2022
Ligand Additivity and Divergent Trends in Two Types of Delocalization Errors from Approximate Density Functional Theory
Yael Cytter, Aditya Nandy, Akash Bajaj, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 6, 2023
Insights into the deviation from piecewise linearity in transition metal complexes from supervised machine learning models
Yael Cytter, Aditya Nandy, Chenru Duan, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2020
Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics
Aditya Nandy, Daniel B K Chu, Daniel R Harper, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 21, 2015
Metropolis Evaluation of the Hartree-Fock Exchange Energy
Yael Cytter, Daniel Neuhauser, Roi Baer
The Journal of Physical Chemistry. A
|
December 15, 2015
Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory
Daniel Neuhauser, Eran Rabani, Yael Cytter, et al.
The Journal of Physical Chemistry Letters
|
May 17, 2022
Ligand Additivity and Divergent Trends in Two Types of Delocalization Errors from Approximate Density Functional Theory
Yael Cytter, Aditya Nandy, Akash Bajaj, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 6, 2023
Insights into the deviation from piecewise linearity in transition metal complexes from supervised machine learning models
Yael Cytter, Aditya Nandy, Chenru Duan, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2020
Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics
Aditya Nandy, Daniel B K Chu, Daniel R Harper, et al.
Page
of 1