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Wu Li Hua Xue Xue Bao = Acta Physico-Chimica Sinica
|
May 14, 2019
Perspective: Chemical Information Encoded in Electron Density
Julia Contreras-García, Weitao Yang
The Journal of Chemical Physics
|
September 8, 2011
Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons
Erin R Johnson, Julia Contreras-García
The Journal of Physical Chemistry. A
|
December 13, 2019
A Bond Charge Model Ansatz for Intrinsic Bond Energies: Application to C-C Bonds
Rubén Laplaza, Victor Polo, Julia Contreras-García
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 18, 2019
Valence-Shell Electron-Pair Repulsion Theory Revisited: An Explanation for Core Polarization
Julen Munárriz, Mónica Calatayud, Julia Contreras-García
Physical Chemistry Chemical Physics : PCCP
|
September 14, 2019
Localizing electron density errors in density functional theory
Rubén Laplaza, Victor Polo, Julia Contreras-García
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2023
Conformational preference analysis in C<sub>2</sub>H<sub>6</sub> using orbital forces and non-covalent interactions; comparison with related systems
Trinidad Novoa, Julia Contreras-García, Patrick Chaquin
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2017
A topological study of chemical bonds under pressure: solid hydrogen as a model case
Vanessa Riffet, Vanessa Labet, Julia Contreras-García
Journal of Chemical Theory and Computation
|
November 24, 2015
Density-Functional Errors in Alkanes: A Real-Space Perspective
Erin R Johnson, Julia Contreras-García, Weitao Yang
The Journal of Physical Chemistry. A
|
July 27, 2011
Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions
Julia Contreras-García, Weitao Yang, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP
|
June 20, 2022
Insight into the inclusion of heteroatom impurities in silicon structures
Rita Maji, Eleonora Luppi, Elena Degoli, et al.
Page
of 8
Search research articles
Search
Showing results (1-10 of 72) with videos related to
Sort By:
Page
of 8
Wu Li Hua Xue Xue Bao = Acta Physico-Chimica Sinica
|
May 14, 2019
Perspective: Chemical Information Encoded in Electron Density
Julia Contreras-García, Weitao Yang
The Journal of Chemical Physics
|
September 8, 2011
Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons
Erin R Johnson, Julia Contreras-García
The Journal of Physical Chemistry. A
|
December 13, 2019
A Bond Charge Model Ansatz for Intrinsic Bond Energies: Application to C-C Bonds
Rubén Laplaza, Victor Polo, Julia Contreras-García
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 18, 2019
Valence-Shell Electron-Pair Repulsion Theory Revisited: An Explanation for Core Polarization
Julen Munárriz, Mónica Calatayud, Julia Contreras-García
Physical Chemistry Chemical Physics : PCCP
|
September 14, 2019
Localizing electron density errors in density functional theory
Rubén Laplaza, Victor Polo, Julia Contreras-García
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2023
Conformational preference analysis in C<sub>2</sub>H<sub>6</sub> using orbital forces and non-covalent interactions; comparison with related systems
Trinidad Novoa, Julia Contreras-García, Patrick Chaquin
Physical Chemistry Chemical Physics : PCCP
|
September 26, 2017
A topological study of chemical bonds under pressure: solid hydrogen as a model case
Vanessa Riffet, Vanessa Labet, Julia Contreras-García
Journal of Chemical Theory and Computation
|
November 24, 2015
Density-Functional Errors in Alkanes: A Real-Space Perspective
Erin R Johnson, Julia Contreras-García, Weitao Yang
The Journal of Physical Chemistry. A
|
July 27, 2011
Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions
Julia Contreras-García, Weitao Yang, Erin R Johnson
Physical Chemistry Chemical Physics : PCCP
|
June 20, 2022
Insight into the inclusion of heteroatom impurities in silicon structures
Rita Maji, Eleonora Luppi, Elena Degoli, et al.
Page
of 8