Citation Impact
Citing Papers
Memory effects in individual submicrometer ferromagnets
1998 StandoutNobel
First-principles calculations of the temperature dependence of the band gap of Si nanocrystals
2007
Dipole Moment, Hydrogen Bonding and IR Spectrum of Confined Water
2006
Electron-Phonon Renormalization of the Direct Band Gap of Diamond
2010
Quantum nuclear dynamics in the photophysics of diamondoids
2013
Li-alloy based anode materials for Li secondary batteries
2010 Standout
Density functional theory for transition metals and transition metal chemistry
2009
Unified theory of electron–phonon renormalization and phonon-assisted optical absorption
2014
Thermal properties of graphene and nanostructured carbon materials
2011 Standout
Applications of advanced hybrid organic–inorganic nanomaterials: from laboratory to market
2011 Standout
Spintronics: A Challenge for Materials Science and Solid‐State Chemistry
2007 Standout
Water nanodroplets confined in zeolite pores
2008
Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reduction
2011
Heavy-Atom Skeleton Quantization and Proton Tunneling in “Intermediate-Barrier” Hydrogen Bonds
2001
Electron-Phonon Coupling and the Metallization of Solid Helium at Terapascal Pressures
2014
Enhanced bistability by guest inclusion in Fe(ii) spin crossover porous coordination polymers
2012 StandoutNobel
Fabrication of Two‐Dimensional Polymer Arrays: Template Synthesis of Polypyrrole between Redox‐Active Coordination Nanoslits
2008 StandoutNobel
Electron–phonon coupling in hybrid lead halide perovskites
2016 Standout
New and Old Concepts in Thermoelectric Materials
2009 Standout
Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells
2014 Standout
Characterization of Various Oxygen Species on an Oxide Surface: RuO2(110)
2001 StandoutNobel
Role of dipolar correlations in the infrared spectra of water and ice
2008
Experimental Evidence of the Néel-Brown Model of Magnetization Reversal
1997
Structures and spectral signatures of protonated water networks in bacteriorhodopsin
2007
Infrared Spectroscopy of N-Methylacetamide Revisited by ab Initio Molecular Dynamics Simulations
2005
First-principles calculations for point defects in solids
2014 Standout
Many-Body Effects on the Zero-Point Renormalization of the Band Structure
2014
Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo
2013
Electronic Effects in the IR Spectrum of Water under Confinement
2009
Graphene Oxide: Preparation, Functionalization, and Electrochemical Applications
2012 Standout
Computer Simulation of Liquids
2017 Standout
Effects of electron-phonon coupling on absorption spectrum: K
2018
Formation energies of point defects at finite temperatures
2010
Water as an Active Constituent in Cell Biology
2007 Standout
Energetics and Dynamics of Enzymatic Reactions
2001 StandoutNobel
Electronic properties, structure and adsorption at vanadium oxide: density functional theory studies
1999
Ternary I−III−VI Quantum Dots Luminescent in the Red to Near-Infrared
2008 StandoutNobel
Generating quantizing pseudomagnetic fields by bending graphene ribbons
2010 StandoutNobel
Van der Waals density functionals applied to solids
2011 Standout
Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals
2011
Lanthanide-Activated Phosphors Based on 4f-5d Optical Transitions: Theoretical and Experimental Aspects
2017 Standout
Large nuclear zero-point motion effect in semiconductor nanoclusters
2013
Electron-phonon interactions from first principles
2017 Standout
The true crystal structure of Li17M4 (M=Ge, Sn, Pb)–revised from Li22M5
2001
Lattice dynamics and electron-phonon coupling calculations using nondiagonal supercells
2015
An ab initio Study of Reduction of V2O5 through the Formation of Oxygen Vacancies and Li Intercalation
2008
Challenges for Density Functional Theory
2011 Standout
The General Utility Lattice Program (GULP )
2003 Standout
First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives
2005
A mild solvothermal route to chalcopyrite quaternary semiconductor CuIn(SexS1 − x)2 nanocrystallites
2001
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
Nanocolumnar Germanium Thin Films as a High-Rate Sodium-Ion Battery Anode Material
2013 StandoutNobel
Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure
2015
Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation
2014
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions
2008
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit
2007
A facile route to synthesize chalcopyrite CuInSe2nanocrystals in non-coordinating solvent
2006
Infrared spectroscopy in the gas and liquid phase from first principle molecular dynamics simulations: application to small peptides
2007
Conducting Polymers Intercalated in Layered Solids
1993
Raman spectroscopy of graphene-based materials and its applications in related devices
2018 Standout
First-Principle Analysis of the IR Stretching Band of Liquid Water
2010
Temperature dependence of the electronic structure of semiconductors and insulators
2015
Superior Thermal Conductivity of Single-Layer Graphene
2008 Standout
Uniaxial strain in graphene by Raman spectroscopy:G
2009 StandoutNobel
Thermopower and electrical conductivity of sodium-doped V2O5 thin films
2007
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy
2009
Structure and Properties of Li−Si Alloys: A First-Principles Study
2011
Recent Progress on Ferroelectric Polymer-Based Nanocomposites for High Energy Density Capacitors: Synthesis, Dielectric Properties, and Future Aspects
2016 Standout
Structure and chemical bonding in zintl-phases containing lithium
1990
Elucidating the Nature of Pseudo Jahn–Teller Distortions in LixMnPO4: Combining Density Functional Theory with Soft and Hard X-ray Spectroscopy
2013 StandoutNobel
Quantum superposition of molecules beyond 25 kDa
2019 StandoutNobel
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Maximally localized Wannier functions: Theory and applications
2012 Standout
Structural, electrical and optical properties of sputtered vanadium pentoxide thin films
1995
Recent Advances in the Liquid-Phase Syntheses of Inorganic Nanoparticles
2004 Standout
Electronic transport in two-dimensional graphene
2011 Standout
Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Cr, Mn, Fe, Co and Ni
2010 Standout
A quantum propagator for path-integral simulations of rigid molecules
2011
Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F , v. 3.0) to describe the vibrational spectra of water clusters and liquid water
2008
Enhancement of Exciton–Phonon Scattering from Monolayer to Bilayer WS2
2018 StandoutNobel
One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization
2016
Polymer Layered Silicate Nanocomposites
1996 Standout
Alloy Negative Electrodes for Li-Ion Batteries
2014 Standout
Correlation effects on electron-phonon coupling in semiconductors: Many-body theory along thermal lines
2016
The RE M E Phases
2003 Nobel
Tellurreiche Telluride
1988
Quantum‐Assisted Metrology of Neutral Vitamins in the Gas Phase
2017
Chapter 4. Dispersive Kinetics
1998
First-principles calculation of the effect of stress on the chemical activity of graphene
2008
Theoretical and Experimental Study of Vanadium-Based Fluorophosphate Cathodes for Rechargeable Batteries
2014 StandoutNobel
Recent Advances in Ultrathin Two-Dimensional Nanomaterials
2017 Standout
Hydrogen-related defects in crystalline semiconductors: a theorist's perspective
1995
Recent advances in graphene based polymer composites
2010 Standout
Theoretical study of the intercalation of cobaltocene in metal chalcogenides
1998
Strong Closed-Shell Interactions in Inorganic Chemistry
1997 Standout
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions
2016
Heteroatom-doped graphene materials: syntheses, properties and applications
2014 Standout
TIME -DEPENDENT QUANTUM METHODS FOR LARGE SYSTEMS
1999
Complexes with Substituent‐free Acyclic and Cyclic Phosphorus, Arsenic, Antimony, and Bismuth Ligands
1990
Triamidoamine Complexes of Molybdenum and Tungsten That Contain Metal−E (E = N, P, and As) Single, Double, or Triple Bonds
1997 StandoutNobel
The random walk's guide to anomalous diffusion: a fractional dynamics approach
2000 Standout
Transition Metal Complexes That Contain a Triamidoamine Ligand
1997 StandoutNobel
First Principles Simulations of the Infrared Spectrum of Liquid Water Using Hybrid Density Functionals
2011
Can the ring polymer molecular dynamics method be interpreted as real time quantum dynamics?
2014
Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems
2006 StandoutNobel
Comparing electron-phonon coupling strength in diamond, silicon, and silicon carbide: First-principles study
2014
Vibrational averages along thermal lines
2016
Works of Rafael Ramı́rez being referenced
Band Structure Calculations of Two-Dimensional (2 D) Models of the Phases LiBC and CaAl2Si2
1987
On the relaxation of simple magnetic systems
1996
Electrons and nuclei of C6H6 and C6D6; a combined Feynman path integral – ab initio approach
1998
Electron transfer and electronic structure of KCuFeS2
1996
Distinct quantum behavior of hydrogen and muonium in crystalline silicon
1994
Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model
2009
On the validity of formal electron counting rules in lithium silicides
1987
Path-integral molecular dynamics simulation of diamond
2006
Path-integral molecular dynamics simulation of3 C − Si C
2008
[NbAs8]3−, a Novel Type of Complex and an Unexpected One‐Dimensional Chain Structure: [Rb{NbAs8}]2−
1986
The use of symmetry in reciprocal space integrations. Asymmetric units and weighting factors for numerical integration procedures in any crystal symmetry
1988
Path-integral Monte Carlo simulation of hydrogen in crystalline silicon
1995
Path integral calculation of free energies: Quantum effects on the melting temperature of neon
2008
The Electronic Structure and the Nature of Chemical Bond of Crystalline Li12Si7. A Semiempirical Crystal Orbital (CO) Approach Based on the Self‐Consistent‐Field (SCF) Approximation in the Hartree‐Fock (HF) Scheme Applied to One‐Dimensional (1D) Subunits of the Li12Si7 Solid
1985
Oxygen reactivity in vanadium pentoxide: electronic structure and infrared spectroscopy studies
1990
[NbAs8]3‐, ein neuartiger Komplextyp und eine unerwartete eindimensionale Kettenstruktur: [b{NbAs8}]2‐
1986
Tight-binding approach to the solid-state structure of the complex Zintl-phaseLi 12 Si 7
1984
Thermally Assisted Tunneling of the B-H Complex in Silicon
1997
The solid-state electronic structure and the nature of the chemical bond of the ternary Zintl-phase Li8MgSi6. A tight-binding analysis
1985
Can gas hydrate structures be described using classical simulations?
2010
Quantum corrections to classical time-correlation functions: Hydrogen bonding and anharmonic floppy modes
2004
Phase-Space Formulation of Thermodynamic and Dynamical Properties of Quantum Particles
1999
Structural and thermodynamic properties of diamond: A path-integral Monte Carlo study
2000
The Electronic Structure of Crystalline Li21Si5. A Cluster Approach to a γ-Brass Structure
1986
Oxidation Mechanism in Intercalated Vanadium Pentoxide
1992
Strong covalent bonding between two graphene layers
2008
Water Dimer Diffusion on Pd{111} Assisted by an H-Bond Donor-Acceptor Tunneling Exchange
2004