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Journal of Computational Chemistry|November 17, 2006
Sigma and pi contributions to the induced magnetic field: indicators for the mobility of electrons in moleculesThomas Heine, Rafael Islas, Gabriel MerinoChemistry (Weinheim an Der Bergstrasse, Germany)|September 8, 2004
The induced magnetic field in cyclic moleculesGabriel Merino, Thomas Heine, Gotthard SeifertOrganic Letters|March 28, 2003
The change of aromaticity along a Diels-Alder reaction pathClémence Corminboeuf, Thomas Heine, Jacques WeberPhysical Chemistry Chemical Physics : PCCP|June 24, 2016
The importance of dynamics studies on the design of sandwich structures: a CrB24 caseLei Liu, Edison Osorio, Thomas HeineChemistry, an Asian Journal|September 21, 2016
Understanding the Central Location of a Hexagonal Hole in a B36 ClusterLei Liu, Edison Osorio, Thomas HeineJournal of the American Chemical Society|October 2, 2018
PtTe Monolayer: Two-Dimensional Electrocatalyst with High Basal Plane Activity toward Oxygen Reduction ReactionYu Wang, Yafei Li, Thomas HeineChemistry (Weinheim an Der Bergstrasse, Germany)|April 12, 2024
External Electric Field Control of Exciton Motion in Porphyrin-Based Metal Organic FrameworksPuja Singhvi, Nina Vankova, Thomas HeineThe Journal of Chemical Physics|October 22, 2020
Analytical approach to phonon calculations in the SCC-DFTB frameworkVladimir Bačić, Thomas Heine, Agnieszka KucJournal of Molecular Modeling|December 6, 2012
Stability and electronic properties of 3D covalent organic frameworksBinit Lukose, Agnieszka Kuc, Thomas HeineJournal of the American Chemical Society|August 19, 2017
Single-Layer Tl2O: A Metal-Shrouded 2D Semiconductor with High Electronic MobilityYandong Ma, Agnieszka Kuc, Thomas HeinePageof 29