Thorsten Klüner

Formation of hybrid ABX₃perovskite compounds for solar cell application: first-principles calculations of effective ionic radii and determination of tolerance factors

Markus Becker, Thorsten Klüner, Michael Wark · Dalton Transactions · 2017 · 188 citations

Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states

Thorsten Klüner, Niranjan Govind, Yan Alexander Wang et al. · The Journal of Chemical Physics · 2002 · 165 citations

Spectral Theory, Configuration Interaction Calculations, Engineering +22

Silver residues as a possible key to a remarkable oxidative catalytic activity of nanoporous gold

Lyudmila V. Moskaleva, Sarah Röhe, Arne Wittstock et al. · Physical Chemistry Chemical Physics · 2011 · 131 citations

Universal Phenomena of CO Adsorption on Gold Surfaces with Low-Coordinated Sites

Wai‐Leung Yim, Tobias Nowitzki, Mandus Necke et al. · The Journal of Physical Chemistry C · 2006 · 122 citations

Engineering, Co Adsorption, Similar Adsorption Behavior +16

Prediction of Electronic Excited States of Adsorbates on Metal Surfaces from First Principles

Thorsten Klüner, Niranjan Govind, Yan Wang et al. · Physical Review Letters · 2001 · 118 citations

Localized Excited State, Engineering, Computational Chemistry +21