Citation Impact

Citing Papers

Atomic-Level Characterization of the Structural Dynamics of Proteins
2010 StandoutScienceNobel
Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions
2011 StandoutNobel
Emerging green approaches for valorization of plastics with saturated carbon backbones
2024
Realization of high thermoelectric performance in n-type partially filled skutterudites
2011
Importance of non-parabolic band effects in the thermoelectric properties of semiconductors
2013
High-performance bulk thermoelectrics with all-scale hierarchical architectures
2012 StandoutNature
Atoms‐in‐Molecules Analysis of Extended Hypervalent Five‐Center, Six‐Electron (5c–6e) C2Z2O Interactions at the 1,8,9‐Positions of Anthraquinone and 9‐Methoxyanthracene Systems
2006
Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe
2016
Choreographing an enzyme's dance
2010
Oxidative stress, dysfunctional glucose metabolism and Alzheimer disease
2019 Standout
Computational Enzyme Design
2013 StandoutNobel
Insights into [FeFe]-Hydrogenase Structure, Mechanism, and Maturation
2011
Molecular basis of [FeFe]-hydrogenase function
2013
Oxidative stress and the amyloid beta peptide in Alzheimer’s disease
2017 Standout
On understanding proton transfer to the biocatalytic [Fe―Fe]H sub-cluster in [Fe―Fe]H2ases: QM/MM MD simulations
2011
Emulating weak localization using a solid-state quantum circuit
2014 StandoutNobel
Photoswitchable electrochemical behaviour of a [FeFe] hydrogenase model with a dithienylethene derivative
2012
Complex thermoelectric materials
2008 Standout
First principles study of defect formation in thermoelectric zinc antimonide, β-Zn4Sb3
2015
Chitosan confinement enhances hydrogen photogeneration from a mimic of the diiron subsite of [FeFe]-hydrogenase
2013
Synthesis, characterization and enhanced thermoelectric performance of structurally ordered cable-like novel polyaniline–bismuth telluride nanocomposite
2013
Optical and Vibrational Properties of Toroidal Carbon Nanotubes
2011 StandoutNobel
Electrochemical and Theoretical Investigations of the Role of the Appended Base on the Reduction of Protons by [Fe2(CO)4(κ2‐PNPR)(μ‐S(CH2)3S] (PNPR={Ph2PCH2}2NR, R=Me, Ph)
2012
Transient Non-native Hydrogen Bonds Promote Activation of a Signaling Protein
2009
At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?
2009 StandoutNobel
Filling Fraction Limit for Intrinsic Voids in Crystals: Doping in Skutterudites
2005
High Performance Thermoelectrics from Earth-Abundant Materials: Enhanced Figure of Merit in PbS by Second Phase Nanostructures
2011
New and Old Concepts in Thermoelectric Materials
2009 Standout
O2 Reactions at the Six-iron Active Site (H-cluster) in [FeFe]-Hydrogenase
2011
Enhanced photocatalytic H2 evolution on ZnS loaded with graphene and MoS2 nanosheets as cocatalysts
2013
Covalent Attachment of FeFe Hydrogenases to Carbon Electrodes for Direct Electron Transfer
2012
Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling
2008
Local structure of interstitial Zn in β‐Zn4Sb3
2007
Electro- and Solar-Driven Fuel Synthesis with First Row Transition Metal Complexes
2019
Computer Simulation of Liquids
2017 Standout
Nanostructured Bulk Silicon as an Effective Thermoelectric Material
2009
Enhancement of Thermoelectric Figure‐of‐Merit by a Bulk Nanostructuring Approach
2009
Ultra-fast synthesis and thermoelectric properties of Te doped skutterudites
2014
Nanozymes: Classification, Catalytic Mechanisms, Activity Regulation, and Applications
2019 Standout
The ONIOM Method and Its Applications
2015
On the Physical Nature of Halogen Bonds: A QTAIM Study
2013
Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes
2013 Standout
Enhanced thermoelectric properties of Ba-filled skutterudites by grain size reduction and Ag nanoparticle inclusion
2011
Characteristic Features of CO2 and CO Adsorptions to Paddle-Wheel-type Porous Coordination Polymer
2017 StandoutNobel
Inhibition of [FeFe]-Hydrogenases by Formaldehyde and Wider Mechanistic Implications for Biohydrogen Activation
2012
Steric charge
2017
Solvothermal synthesis and electrical transport properties of skutterudite CoSb3
2005
QM:QM electronic embedding using Mulliken atomic charges: Energies and analytic gradients in an ONIOM framework
2008
Energy Filtering of Charge Carriers: Current Trends, Challenges, and Prospects for Thermoelectric Materials
2019
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Magnetic Iron Oxide Nanoparticles: Synthesis, Stabilization, Vectorization, Physicochemical Characterizations, and Biological Applications
2008 Standout
A Strategy for Low Thermal Conductivity and Enhanced Thermoelectric Performance in SnSe: Porous SnSe1–xSx Nanosheets
2017
Metal hydride materials for solid hydrogen storage: A review☆
2007 Standout
Solids Go Bio: Inorganic Nanoparticles as Enzyme Mimics
2015
Challenges for Density Functional Theory
2011 Standout
Density Functional Study of the Thermodynamics of Hydrogen Production by Tetrairon Hexathiolate, Fe4[MeC(CH2S)3]2(CO)8, a Hydrogenase Model
2010
Terminal vs Bridging Hydrides of Diiron Dithiolates: Protonation of Fe2(dithiolate)(CO)2(PMe3)4
2012
Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies
2019 Standout
Structure and reactions of quantum halos
2004
Thermoelectric performance of mischmetal skutterudites MmyFe4−xCoxSb12 at elevated temperatures
2009
Pyrolytic Depolymerization of Polyolefins Catalysed by Zirconium‐based UiO‐66 Metal–Organic Frameworks
2024 StandoutNobel
Advanced Thermoelectric Design: From Materials and Structures to Devices
2020 Standout
Boron-Induced Hydrogen Localization in the Novel Metal Hydride LaNi3BHx(x= 2.5−3.0)
2005
Interface-directed assembly of a simple precursor of [FeFe]–H2ase mimics on CdSe QDs for photosynthetic hydrogen evolution in water
2013
Nanostructured bulk YbxCo4Sb12with high thermoelectric performance prepared by the rapid solidification method
2009
CO2 Hydrogenation to Formate and Methanol as an Alternative to Photo- and Electrochemical CO2 Reduction
2015 Standout
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments
2022 Standout
A Step into the Future: Applications of Nanoparticle Enzyme Mimics
2018
Theoretical study of the filling fraction limits for impurities inCoSb3
2007
Electronic structure and transport in the low-temperature thermoelectricCsBi4Te6: Semiclassical transport equations
2006
Nanoscale granular boundaries in polycrystalline Pb0.75Sn0.25Te: an innovative approach to enhance the thermoelectric figure of merit
2009
N-Heterocyclic Carbenes in Late Transition Metal Catalysis
2009 Standout
Novel flow injection synthesis of iron oxide nanoparticles with narrow size distribution
2006
Interfaces in bulk thermoelectric materials
2009
Hydrogenases
2014 Standout
Transition metal functionalized photo- and redox-switchable diarylethene based molecular switches
2014 StandoutNobel
Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage
2014 Standout
Discovery and Protein Engineering of Biocatalysts for Organic Synthesis
2011
Organoselenium Chemistry: Role of Intramolecular Interactions
2010 Standout
Thermoelectric properties of La0.9CoFe3Sb12–CoSb3 skutterudite nanocomposites
2008
Analysis of Nanostructuring in High Figure‐of‐Merit Ag1–xPbmSbTe2+m Thermoelectric Materials
2009
High Performance Thermoelectric Materials: Progress and Their Applications
2017
Nanomaterials with enzyme-like characteristics (nanozymes): next-generation artificial enzymes (II)
2018 Standout
Feshbach resonances in ultracold gases
2010 Standout
Inhibition of Biocatalysis in [Fe–Fe] Hydrogenase by Oxygen: Molecular Dynamics and Density Functional Theory Calculations
2012
Recent Developments in Bulk Thermoelectric Materials
2006
Recent advances in thermoelectric materials
2016
Recent Developments in the Chemistry of Cubic Polyhedral Oligosilsesquioxanes
2010 Standout
Advances in thermoelectric materials research: Looking back and moving forward
2017 StandoutScience
Toward high-performance nanostructured thermoelectric materials: the progress of bottom-up solution chemistry approaches
2011
Microstructure‐Lattice Thermal Conductivity Correlation in Nanostructured PbTe0.7S0.3 Thermoelectric Materials
2010
Rationally Designing High-Performance Bulk Thermoelectric Materials
2016 Standout
High thermoelectric performance from high carrier mobility and reduced lattice thermal conductivity in Ba, Yb double-filled Skutterudites
2019
Noble metal-free hydrogen evolution catalysts for water splitting
2015 Standout
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Property-optimized Gaussian basis sets for molecular response calculations
2010 Standout
Improving the Carrier Lifetime of Tin Sulfide via Prediction and Mitigation of Harmful Point Defects
2017 StandoutNobel
The Halogen Bond
2016 Standout
Effects of (Al,Ge) double doping on the thermoelectric properties of higher manganese silicides
2013 StandoutNobel
Large thermoelectric figure of merit at high temperature in Czochralski-grown clathrate Ba8Ga16Ge30
2006
Advances in Copper Complexes as Anticancer Agents
2013 Standout
First Experimental Characterization of a Non-nuclear Attractor in a Dimeric Magnesium(I) Compound
2010
Magnetic Nanoparticles: Design and Characterization, Toxicity and Biocompatibility, Pharmaceutical and Biomedical Applications
2012 Standout
Finding a needle in a haystack: direct determination of vibrational signatures in complex systems
2007
Information‐theoretic approach in density functional theory and its recent applications to chemical problems
2019
Electrocatalytic Hydrogen Evolution and Oxidation with Rhenium Tris(thiolate) Complexes: A Competition between Rhenium and Sulfur for Electrons and Protons
2020
Thermal conductivity of thermoelectric clathrates
2004
Photochromism of Diarylethene Molecules and Crystals: Memories, Switches, and Actuators
2014 Standout
Thermoelectric Properties of Cold-Pressed Higher Manganese Silicides for Waste Heat Recovery
2012
Nanoscale Zinc Antimonides:  Synthesis and Phase Stability
2006
Electron and proton transfers at diiron dithiolate sites relevant to the catalysis of proton reduction by the [FeFe]-hydrogenases
2008
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
High thermoelectric performance of triple-filledn-type skutterudites (Sr,Ba,Yb)yCo4Sb12
2009
Nanoscaleα-structural domains in the phonon-glass thermoelectric materialβ−Zn4Sb3
2007
Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports
2011 Standout
EPR and FTIR Analysis of the Mechanism of H2 Activation by [FeFe]-Hydrogenase HydA1 from Chlamydomonas reinhardtii
2013
Thermoelectric properties of novel skutterudites with didymium: DDy(Fe1−xCox)4Sb12 and DDy(Fe1−xNix)4Sb12
2009
Mixed-Valence Nickel–Iron Dithiolate Models of the [NiFe]-Hydrogenase Active Site
2012
N-Heterocyclic Carbene Ligands in Nonsymmetric Diiron Models of Hydrogenase Active Sites
2007
Nanostructured thermoelectrics
2010
Dense dislocation arrays embedded in grain boundaries for high-performance bulk thermoelectrics
2015 StandoutScience
Proton-Coupled Electron Transfer
2012 Standout
Overcoming barriers in trajectory space: Mechanism and kinetics of rare events via Wang–Landau enhanced transition path sampling
2010
Earth-abundant cocatalysts for semiconductor-based photocatalytic water splitting
2014 Standout
Improved Thermoelectric Performance and Mechanical Properties of Nanostructured Melt-Spun β-Zn4Sb3
2010
H2Binding and Splitting on a New-Generation [FeFe]-Hydrogenase Model Featuring a Redox-Active Decamethylferrocenyl Phosphine Ligand: A Theoretical Investigation
2013

Works of Luca Bertini being referenced

Atomistic approaches in modern biology : from quantum chemistry to molecular simulations
2007
Bromoperoxidase activity of amavadin dissected: a DFT investigation
2013
The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactions
2004
On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: a DFT investigation
2015
Chemical information from the source function
2003
Guest–Framework Interaction in Type I Inorganic Clathrates with Promising Thermoelectric Properties: On the Ionic versus Neutral Nature of the Alkaline‐Earth Metal Guest A in A8Ga16Ge30 (A=Sr, Ba)
2003
Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4Sb3: A Combined Maximum Entropy Method X‐ray Electron Density and Ab Initio Electronic Structure Study
2004
Stability of Few-Body Systems and Quantum Monte-Carlo Methods
2002
Nanostructured Co1−xNixSb3 skutterudites: Synthesis, thermoelectric properties, and theoretical modeling
2002
DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than the Terminal Isomer?
2015
CO Affinity and Bonding Properties of [FeFe] Hydrogenase Active Site Models. A DFT Study
2010
Nanostructured Co1−xNix(Sb1−yTey)3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties
2005
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems
2004
Calcium filled skutterudites CaxCo4Sb12: effect of the computational approach on theab-initiomodeled electronic transport properties
2008
Functionally Relevant Interplay between the Fe4S4 Cluster and CN− Ligands in the Active Site of [FeFe]-Hydrogenases
2010
Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides
2012
The Impact of Nanostructuring on the Thermal Conductivity of Thermoelectric CoSb3
2004
CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study
2011
Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers
2016
Insights into the Mechanism of Electrocatalytic Hydrogen Evolution Mediated by Fe2(S2C3H6)(CO)6:  The Simplest Functional Model of the Fe-Hydrogenase Active Site
2006
DFT/TDDFT Exploration of the Potential Energy Surfaces of the Ground State and Excited States of Fe2(S2C3H6)(CO)6: A Simple Functional Model of the [FeFe] Hydrogenase Active Site
2009
Copper coordination to the putative cell binding site of angiogenin: a DFT investigation
2012
Oxidative degradation of polyethylene by two novel laccase-like multicopper oxidases from Rhodococcus opacus R7.
2023
Rankless by CCL
2026