Showing results (1-10 of 90) with videos related to
Sort By:
Pageof 9
Wu Li Hua Xue Xue Bao = Acta Physico-Chimica Sinica|May 14, 2019
Perspective: Chemical Information Encoded in Electron DensityJulia Contreras-García, Weitao YangThe Journal of Chemical Physics|September 8, 2011
Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electronsErin R Johnson, Julia Contreras-GarcíaThe Journal of Physical Chemistry. A|December 13, 2019
A Bond Charge Model Ansatz for Intrinsic Bond Energies: Application to C-C BondsRubén Laplaza, Victor Polo, Julia Contreras-GarcíaChemistry (Weinheim an Der Bergstrasse, Germany)|June 18, 2019
Valence-Shell Electron-Pair Repulsion Theory Revisited: An Explanation for Core PolarizationJulen Munárriz, Mónica Calatayud, Julia Contreras-GarcíaPhysical Chemistry Chemical Physics : PCCP|September 14, 2019
Localizing electron density errors in density functional theoryRubén Laplaza, Victor Polo, Julia Contreras-GarcíaPhysical 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 systemsTrinidad Novoa, Julia Contreras-García, Patrick ChaquinPhysical Chemistry Chemical Physics : PCCP|September 26, 2017
A topological study of chemical bonds under pressure: solid hydrogen as a model caseVanessa Riffet, Vanessa Labet, Julia Contreras-GarcíaJournal of Chemical Theory and Computation|November 24, 2015
Density-Functional Errors in Alkanes: A Real-Space PerspectiveErin R Johnson, Julia Contreras-García, Weitao YangGene|April 14, 2018
The splicing of tiny introns of Paramecium is controlled by MAGOJulia Contreras, Victoria Begley, Laura Marsella, et al.The Journal of Physical Chemistry. A|July 27, 2011
Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regionsJulia Contreras-García, Weitao Yang, Erin R JohnsonPageof 9