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Journal of Computational Chemistry|October 19, 2021
Analysis in silico of chemical reactivity employing the local hyper-softness in some classic aromatic compounds, boron aromatic clusters and all-metal aromatic clustersJorge I Martínez-Araya, Rafael IslasAccounts of Chemical Research|December 10, 2014
Transition metal chalcogenides: ultrathin inorganic materials with tunable electronic propertiesThomas HeinePhysical Chemistry Chemical Physics : PCCP|April 26, 2012
CBe5E- (E = Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clustersAbril C Castro, Gerardo Martínez-Guajardo, Thomas Johnson, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2011
Starlike aluminum-carbon aromatic speciesYan-Bo Wu, Jin-Liang Jiang, Hai-Gang Lu, et al.Physical Chemistry Chemical Physics : PCCP|September 20, 2012
Molecular structures of M2N2(2-) (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithmRafael Islas, Jordi Poater, Eduard Matito, et al.Journal of the American Chemical Society|August 23, 2023
Magnetic Coupling Control in Triangulene DimersHongde Yu, Thomas HeineChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 6, 2021
Investigation of CO2 Orientational Dynamics through Simulated NMR Line Shapes*Patrick Melix, Thomas HeineJournal of the American Chemical Society|March 30, 2026
Metal-Free Ferromagnetism in Triangulene Two-Dimensional FrameworksHongde Yu, Thomas HeineChemical Society Reviews|December 23, 2014
The electronic structure calculations of two-dimensional transition-metal dichalcogenides in the presence of external electric and magnetic fieldsAgnieszka Kuc, Thomas HeinePageof 48