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Chemistry, 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 HeineJournal of Chemical Theory and Computation|June 1, 2023
Predicting Magnetic Coupling and Spin-Polarization Energy in Triangulene AnaloguesHongde Yu, Jianwei Sun, 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 HeineAngewandte Chemie (International Ed. in English)|February 18, 2020
Two-Dimensional Noble-Metal Chalcogenides and PhosphochalcogenidesRoman Kempt, Agnieszka Kuc, Thomas HeineRSC Advances|April 28, 2022
B12X11(H2)-: exploring the limits of isotopologue selectivity of hydrogen adsorptionToshiki Wulf, Jonas Warneke, Thomas HeineAccounts of Chemical Research|December 10, 2024
Physics and Chemistry of Two-Dimensional Triangulene-Based LatticesHongde Yu, Yu Jing, Thomas HeinePageof 48