Showing results (131-140 of 146) with videos related to

Sort By:
Pageof 15
Angewandte Chemie (International Ed. in English)|November 15, 2017
Transition-Metal π-Ligation of a TetrahalodiboraneHolger Braunschweig, Rian D Dewhurst, J Oscar C Jiménez-Halla, et al.
Journal of Chemical Theory and Computation|April 3, 2024
Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?Sebastian P Sitkiewicz, Rubén R Ferradás, Eloy Ramos-Cordoba, et al.
The Journal of Physical Chemistry. A|June 25, 2011
Ab initio design of chelating ligands relevant to Alzheimer's disease: influence of metalloaromaticityAlbert Rimola, Jorge Alí-Torres, Cristina Rodríguez-Rodríguez, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Scalar and Spin-Orbit Relativistic Corrections to the NICS and the Induced Magnetic Field: The case of the E12(2-) Spherenes (E = Ge, Sn, Pb)Abril Carolina Castro, Edison Osorio, J Oscar C Jiménez-Halla, et al.
Physical Chemistry Chemical Physics : PCCP|April 10, 2024
Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effectsSílvia Escayola, Elisa Jimenez-Izal, Eduard Matito, et al.
Physical Chemistry Chemical Physics : PCCP|July 18, 2020
Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyaninesLaurie Lescos, Sebastian P Sitkiewicz, Pierre Beaujean, et al.
Dalton Transactions (Cambridge, England : 2003)|December 11, 2014
A theoretical study of the aromaticity in neutral and anionic borole compoundsJ Oscar C Jimenez-Halla, Eduard Matito, Miquel Solà, et al.
Journal of Chemical Theory and Computation|January 26, 2022
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional ApproximationsMarta Chołuj, Md Mehboob Alam, Maarten T P Beerepoot, et al.
Physical Chemistry Chemical Physics : PCCP|May 16, 2023
Electric-field induced second harmonic generation responses of push-pull polyenic dyes: experimental and theoretical characterizationsCarmelo Naim, Raphaël Vangheluwe, Isabelle Ledoux-Rak, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 5, 2014
Exploring the potential energy surface of E₂P₄ clusters (E=Group 13 element): the quest for inverse carbon-free sandwichesAbril C Castro, Edison Osorio, José Luis Cabellos, et al.
Pageof 15