Showing results (31-40 of 90) with videos related to

Sort By:
Pageof 9
Physical Chemistry Chemical Physics : PCCP|September 7, 2022
New venues in electron density analysisBruno Landeros-Rivera, Miguel Gallegos, Julen Munárriz, et al.
The Journal of Chemical Physics|December 13, 2012
Delocalization error of density-functional approximations: a distinct manifestation in hydrogen molecular chainsXiao Zheng, Min Liu, Erin R Johnson, et al.
Nanoscale|June 16, 2026
Hydrogen-directed Au-H-Au chain networks redefine the active structure of sub-2 nm gold nanoparticlesLoréna Chabeaud, Nicolás F Barrera, Julia Contreras-García, et al.
Physical Chemistry Chemical Physics : PCCP|September 16, 2020
Steric clash in real space: biphenyl revisitedRubén Laplaza, Roberto A Boto, Julia Contreras-García, et al.
Journal of Computational Chemistry|December 10, 2020
Orbital energies and nuclear forces in DFT: Interpretation and validationRubén Laplaza, Carlos Cárdenas, Patrick Chaquin, et al.
Journal of the American Chemical Society|April 4, 2013
Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compoundsAaron M Virshup, Julia Contreras-García, Peter Wipf, et al.
Physical Chemistry Chemical Physics : PCCP|October 19, 2023
<i>In silico</i> design of bio-marker detection fluorescent probesAndrea Echeverri, Candice Botuha, Tatiana Gómez, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 6, 2026
Geometry-Based Neural-Network Prediction of Electron Localization Function Topology in Dense HydrogenXiaoyu Wang, Miriam Marqués, Sergio Gómez, et al.
Angewandte Chemie (International Ed. in English)|December 26, 2023
An Organocopper(III) Fluoride Triggering C-CF<sub>3</sub> Bond FormationDaniel Joven-Sancho, Andrea Echeverri, Nathalie Saffon-Merceron, et al.
Journal of Chemical Theory and Computation|May 27, 2014
Revisiting H<sub>2</sub>O Nucleation around Au<sup>+</sup> and Hg<sup>2+</sup>: The Peculiar "Pseudo-Soft" Character of the Gold CationRobin Chaudret, Julia Contreras-Garcia, Mickaël Delcey, et al.
Pageof 9