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Journal of Chemical Theory and Computation|November 13, 2010
Analysis of Bonding between Conjugated Organic Molecules and Noble Metal Surfaces Using Orbital Overlap PopulationsGerold M Rangger, Lorenz Romaner, Oliver T Hofmann, et al.The Journal of Physical Chemistry Letters|July 19, 2016
Employing X-ray Photoelectron Spectroscopy for Determining Layer Homogeneity in Mixed Polar Self-Assembled MonolayersIris Hehn, Swen Schuster, Tobias Wächter, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|April 12, 2016
Adsorption Behavior of Nonplanar Phthalocyanines: Competition of Different Adsorption ConformationsElisabeth Wruss, Oliver T Hofmann, David A Egger, et al.Organic Electronics|April 9, 2013
X-ray based tools for the investigation of buried interfaces in organic electronic devicesAlfred Neuhold, Hannes Brandner, Simon J Ausserlechner, et al.Npj Computational Materials|January 12, 2026
Ab-initio heat transport in defect-laden quasi-1D systems from a symmetry-adapted perspectiveYu-Jie Cen, Sandro Wieser, Georg K H Madsen, et al.Physical Chemistry Chemical Physics : PCCP|April 22, 2010
Self-assembled monolayers of polar molecules on Au(111) surfaces: distributing the dipolesDavid A Egger, Ferdinand Rissner, Gerold M Rangger, et al.Physical Chemistry Chemical Physics : PCCP|January 13, 2026
Insights into phonons and spin-lattice relaxation in copper(II) and vanadyl(IV) porphyrin metal-organic frameworks from density functional theoryYukina Suzuki, Nina Strasser, Ryota Sakamoto, et al.Journal of Chemical Theory and Computation|December 19, 2025
Accelerating First-Principles Molecular-Dynamics Thermal Conductivity Calculations for Complex SystemsSandro Wieser, Yu-Jie Cen, Georg K H Madsen, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|April 20, 2024
Determining Structures of Layer-by-Layer Spin-Coated Zinc Dicarboxylate-Based Metal-Organic Thin FilmsJan C Fischer, Robbin Steentjes, Dong-Hui Chen, et al.Chemical Science|June 14, 2018
Transition voltages respond to synthetic reorientation of embedded dipoles in self-assembled monolayersAndrii Kovalchuk, Tarek Abu-Husein, Davide Fracasso, et al.Pageof 10