Citation Impact
Citing Papers
Observation of Wave-Packet Branching through an Engineered Conical Intersection
2023 StandoutNobel
Molecular junctions based on aromatic coupling
2008 StandoutNobel
Electron transport through catechol-functionalized molecular rods
2013 StandoutNobel
A neutral redox-switchable [2]rotaxane
2011 StandoutNobel
The Chameleonic Nature of Diazaperopyrenium Recognition Processes
2012 StandoutNobel
Micrometer‐sized DNA–Single‐Fluorophore–DNA Supramolecule: Synthesis and Single‐Molecule Characterization
2009 StandoutNobel
Experimental Evidence for Quantum Interference and Vibrationally Induced Decoherence in Single-Molecule Junctions
2012 StandoutNobel
From point to extended defects in two-dimensional MoS2
2013
A local view on hyperconjugation
2007
Photothermal therapy and photoacoustic imaging via nanotheranostics in fighting cancer
2018 Standout
Quantum‐mechanical condensed matter simulations with CRYSTAL
2018 Standout
Highly Thermally Conductive Yet Electrically Insulating Polymer/Boron Nitride Nanosheets Nanocomposite Films for Improved Thermal Management Capability
2018 Standout
The Chameleonic Nature of Diazaperopyrenium Recognition Processes
2012 StandoutNobel
Catechol‐Based Macrocyclic Rods: En Route to Redox‐Active Molecular Switches
2009 StandoutNobel
Computer Simulation of Liquids
2017 Standout
Ring-fusion as a perylenediimide dimer design concept for high-performance non-fullerene organic photovoltaic acceptors
2016
Thermal conductivity of polymer-based composites: Fundamentals and applications
2016 Standout
Redox‐Active Catechol‐Functionalized Molecular Rods: Suitable Protection Groups and Single‐Molecule Transport Investigations
2007 StandoutNobel
Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer
2018 Standout
Synthesis of Rotationally Restricted and Modular Biphenyl Building Blocks
2009 StandoutNobel
Electron-phonon interactions from first principles
2017 Standout
Charge Dynamics at Heterojunction between Face-on/Edge-on PCPDTBT and PCBM Bilayer: Interplay of Donor/Acceptor Distance and Local Charge Carrier Mobility
2016
Taking Up the Cyanine Challenge with Quantum Tools
2015
Self-consistent hybrid functional for condensed systems
2014
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
2018
Harnessing supramolecular interactions in organic solid-state devices: Current status and future potential
2010
“Water-in-salt” electrolyte enables high-voltage aqueous lithium-ion chemistries
2015 StandoutScience
Color-Selective Photocurrent Enhancement in Coupled J-Aggregate/Nanowires Formed in Solution
2011 StandoutNobel
TMIO-PyrImid Hybrids are Profluorescent, Site-Directed Spin Labels for Nucleic Acids
2014
Organic Optoelectronic Materials: Mechanisms and Applications
2016
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
Valleytronics in 2D materials
2016 Standout
Standard Practices of Reticular Chemistry
2020 StandoutNobel
Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations
2010
Nonfullerene Acceptor Molecules for Bulk Heterojunction Organic Solar Cells
2018 Standout
Artificial Molecular Machines
2015 Standout
Molecular electronics: Some views on transport junctions and beyond
2005
Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene
2021
Charge Transfer Through Molecules with Multiple Pathways: Quantum Interference and Dephasing
2010
Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set
2011
Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems
2013
Enhancement of Exciton–Phonon Scattering from Monolayer to Bilayer WS2
2018 StandoutNobel
Morphology-influenced thermal conductivity of polyethylene single chains and crystalline fibers
2012
Applications of Palladium-Catalyzed C–N Cross-Coupling Reactions
2016 Standout
Molecular, Supramolecular, and Macromolecular Motors and Artificial Muscles
2009 StandoutNobel
Next-generation organic photovoltaics based on non-fullerene acceptors
2018 Standout
Selective Formation of End-on Orientation between Polythiophene and Fullerene Mediated by Coordination Nanospaces
2018 StandoutNobel
Low Open-Circuit Voltage Loss in Solution-Processed Small-Molecule Organic Solar Cells
2016
Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge‐Transfer States in Organic Solar Cells
2016
Review of thermal conductivity in composites: Mechanisms, parameters and theory
2016
Software update: The ORCA program system—Version 5.0
2022 Standout
The Different Designs of Molecule Logic Gates
2011
First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals
2011
2013 Standout
Ultimate Limits to Intercalation Reactions for Lithium Batteries
2014 StandoutNobel
Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet–Singlet and Singlet–Triplet Excitation Energies
2021
Understanding quantum interference in coherent molecular conduction
2008
Radically Enhanced Molecular Switches
2012 StandoutNobel
Colloquium: Phononics: Manipulating heat flow with electronic analogs and beyond
2012 Standout
Works of Ivan Duchemin being referenced
First Principles Calculations of Charge Transfer Excitations in Polymer–Fullerene Complexes: Influence of Excess Energy
2014
A scalable and accurate algorithm for the computation of Hartree–Fock exchange
2010
0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds
2015
Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD
2017
Mechanical Tuning of Thermal Transport in a Molecular Junction
2015
Intramolecular Hamiltonian logic gates
2004
Calculation of the conductance of a finite atomic line of sulfur vacancies created on a molybdenum disulfide surface
2008
Does Excess Energy Assist Photogeneration in an Organic Low‐Bandgap Solar Cell?
2015
Atomistic simulations of heat transport in real-scale silicon nanowire devices
2012
The Bethe–Salpeter equation in chemistry: relations with TD-DFT, applications and challenges
2017
An intramolecular digital 1/2-adder with tunneling current drive and read-outs
2008
A quantum digital half adder inside a single molecule
2005
Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe–Salpeter Approach
2014
Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules
2014
Efficient Computation of Hartree–Fock Exchange Using Recursive Subspace Bisection
2012
Combining the Bethe–Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples
2014
Exploring approximations to theG W
2015
Resonant hot charge-transfer excitations in fullerene-porphyrin complexes: a many-body Bethe-Salpeter study
2013