Standout Papers
Citation Impact
Citing Papers
The speed limit of optoelectronics
2022 StandoutNobel
Spectral phase measurement of a Fano resonance using tunable attosecond pulses
2016 StandoutNobel
Electro-optic characterization of synthesized infrared-visible light fields
2022 StandoutNobel
Spectrally Resolved Maker Fringes in High-Order Harmonic Generation
2011 StandoutNobel
The Chameleonic Nature of Diazaperopyrenium Recognition Processes
2012 StandoutNobel
Accessing the long-lived emissive 3IL triplet excited states of coumarin fluorophores by direct cyclometallation and its application for oxygen sensing and upconversion
2011
A 160-kilobit molecular electronic memory patterned at 1011 bits per square centimetre
2007 StandoutNatureNobel
Visible light-absorbing rhenium(i ) tricarbonyl complexes as triplet photosensitizers in photooxidation and triplet–triplet annihilation upconversion
2012
Quantum dynamics of light-driven chiral molecular motors
2009
Improving the photoresponse of copper(i) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules
2013
Attosecond nonlinear polarization and light–matter energy transfer in solids
2016 StandoutNatureNobel
Coherent Control for Spectroscopy and Manipulation of Biological Dynamics
2005
Wannier Representation of Intraband High-Order Harmonic Generation
2018 StandoutNobel
Self-assembly driven by molecular motors
2006
Probing Time-Dependent Molecular Dipoles on the Attosecond Time Scale
2013 StandoutNobel
Quantum control of unidirectional rotations of a chiral molecular motor
2005
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
2006 Standout
Crystal structure of Δ-[Ru(bpy)2dppz]2+ bound to mismatched DNA reveals side-by-side metalloinsertion and intercalation
2012
Periodic Electron Circulation Induced by Circularly Polarized Laser Pulses: Quantum Model Simulations for Mg Porphyrin
2006
Computational study of the energetics of3Fe(CO)4,1Fe(CO)4and1Fe(CO)4(L), L = Xe, CH4, H2and CO
2005
Isolated Attosecond Pulses from Laser-Driven Synchrotron Radiation
2012 StandoutNobel
Molecular Dissociative Ionization and Wave-Packet Dynamics Studied Using Two-Color XUV and IR Pump-Probe Spectroscopy
2009 StandoutNobel
Quantum interference of large organic molecules
2011 StandoutNobel
Quantum Control by Ultrafast Polarization Shaping
2004
Attosecond tracing of correlated electron-emission in non-sequential double ionization
2012 StandoutNobel
Highly Efficient Ultrafast Electron Injection from the Singlet MLCT Excited State of Copper(I) Diimine Complexes to TiO2 Nanoparticles
2012 StandoutNobel
Real-time observation of valence electron motion
2010 StandoutNatureNobel
Optical attosecond pulses and tracking the nonlinear response of bound electrons
2016 StandoutNatureNobel
SubfemtosecondK
2012 StandoutNobel
Electron localization following attosecond molecular photoionization
2010 StandoutNatureNobel
High hopes: can molecular electronics realise its potential?
2012 StandoutNobel
Size-Dependent High-order Harmonic Generation in Rare-Gas Clusters
2014 StandoutNobel
Attosecond optoelectronic field measurement in solids
2020 StandoutNobel
A Reversible, Unidirectional Molecular Rotary Motor Driven by Chemical Energy
2005 StandoutScienceNobel
3d Transition Metals for C–H Activation
2018 Standout
Femtochemistry of organometallics: dynamics of metal-metal and metal-ligand bond cleavage in M2(CO)10
1995 StandoutNobel
Multiconfigurational self-consistent field linear response for the polarizable continuum model: Theory and application to ground and excited-state polarizabilities of para-nitroaniline in solution
2003
Theoretical Methods of Potential Use for Studies of Inorganic Reaction Mechanisms
2005
Photoexpulsion of Surface-Grafted Ruthenium Complexes and Subsequent Release of Cytotoxic Cargos to Cancer Cells from Mesoporous Silica Nanoparticles
2013 StandoutNobel
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
2007 Standout
Computational design of a homotrimeric metalloprotein with a trisbipyridyl core
2016 StandoutNobel
Interplays of excited state structures and dynamics in copper(I) diimine complexes: Implications and perspectives
2014
Cooperative light-induced molecular movements of highly ordered azobenzene self-assembled monolayers
2007 StandoutNobel
State of the Art and Prospects in Metal–Organic Framework (MOF)-Based and MOF-Derived Nanocatalysis
2019 Standout
Transition metal complexes with photochromic ligands—photosensitization and photoswitchable properties
2009
Asymptotic correction of the exchange–correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations
2004
Thermal and photocatalytic production of hydrogen with earth-abundant metal complexes
2017
Quantum Control of a Chiral Molecular Motor Driven by Laser Pulses
2005
Attosecond physics
2009 StandoutNobel
Pristine Metal–Organic Frameworks and their Composites for Energy Storage and Conversion
2017
Real-Time Observation of the Photoinduced Structural Change of Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) by Femtosecond Fluorescence Spectroscopy: A Realistic Potential Curve of the Jahn−Teller Distortion
2007
Challenges for Density Functional Theory
2011 Standout
Concentration effects on the performance of bis(diimine) copper(I) dyes in dye-sensitized solar cells
2014
Coherent Nuclear Dynamics in Ultrafast Photoinduced Structural Change of Bis(diimine)copper(I) Complex
2011
Theoretical approaches to the description of the electronic structure and chemical reactivity of transition metal compounds
1991
An Attempt To Bridge the Gap between Computation and Experiment for Nonlinear Optical Properties: Macroscopic Susceptibilities in Solution
2000
Chemically Optimizing Operational Efficiency of Molecular Rotary Motors
2014 StandoutNobel
Problems in the comparison of theoretical and experimental hyperpolarizabilities
1992 Standout
Heteroleptic copper(i )–polypyridine complexes as efficient sensitizers for dye sensitized solar cells
2014
Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices
2015 StandoutNobel
Failure of density-functional theory and time-dependent density-functional theory for large extended π systems
2002
Comprehensive Study of the Thermochemistry of First-Row Transition Metal Compounds by Spin Component Scaled MP2 and MP3 Methods
2004
Artificial Molecular Machines
2015 Standout
A theoretical study of the chemical bonding in M(CO)x (M=Cr, Fe, and Ni)
1994
Design of optimized photorefractive polymers: A novel class of chromophores
1996
Quantum Physics Under Control
2003
Two-State Reactivity in Low-Valent Iron-Mediated C–H Activation and the Implications for Other First-Row Transition Metals
2016
Learning from learning algorithms: Application to attosecond dynamics of high-harmonic generation
2004
Doping copper into ZIF-67 for enhancing gas uptake capacity and visible-light-driven photocatalytic degradation of organic dye
2012
Organic Photorefractives: Mechanisms, Materials, and Applications
2004 StandoutNobel
Activation of C−H Bonds by Metal Complexes
1997 Standout
Upconversion Luminescent Materials: Advances and Applications
2014 Standout
Spin-orbit coupling constants from coupled-cluster response theory
2000
Femtosecond Absorption Spectroscopy of Transition Metal Charge-Transfer Complexes
2003
Wave-Packet and Coherent Control Dynamics
2008
Cocatalysts for Selective Photoreduction of CO2into Solar Fuels
2019 Standout
Tetra- and Heptametallic Ru(II),Rh(III) Supramolecular Hydrogen Production Photocatalysts
2017
Environmental effects on the photophysics of transition metal complexes with dipyrido[2,3-a:3′,2′-c]phenazine (dppz) and related ligands
2011
6-31G* basis set for atoms K through Zn
1998 StandoutNobel
Visible Light Photoredox Catalysis with Transition Metal Complexes: Applications in Organic Synthesis
2013 Standout
Heterogenization of Photochemical Molecular Devices: Embedding a Metal–Organic Cage into a ZIF-8-Derived Matrix To Promote Proton and Electron Transfer
2019 StandoutNobel
Photochromism of Diarylethene Molecules and Crystals: Memories, Switches, and Actuators
2014 Standout
Photoionization in the time and frequency domain
2017 StandoutScienceNobel
Transition Metal-Catalyzed C–H Amination: Scope, Mechanism, and Applications
2017 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
Biologically inspired molecular machines driven by light. Optimal control of a unidirectional rotor
2010
Halos show the path to perfection: peripheral iodo-substituents improve the efficiencies of bis(diimine)copper(i ) dyes in DSCs
2014
PdnCO (n = 1,2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling
2006
Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
2005 Standout
Works of Chantal Daniel being referenced
A theoretical study of Ru(II) polypyridyl DNA intercalators
2010
trans–cis Photoisomerization of the Styrylpyridine Ligand in [Re(CO)3(2,2′‐bipyridine)(t‐4‐styrylpyridine)]+: Role of the Metal‐to‐Ligand Charge‐Transfer Excited States
2006
First application of the HETPHEN concept to new heteroleptic bis(diimine) copper(i) complexes as sensitizers in dye sensitized solar cells
2013
Mechanism of visible-light photoisomerization of a rhenium(i) carbonyl–diimine complex
2010
Quantum chemistry and Dick Stufkens photochemistry
2002
Nonlinear optical properties of organic solids: ab initio polarizability and hyperpolarizabilities of nitroaniline derivatives
1990
New Heteroleptic Bis-Phenanthroline Copper(I) Complexes with Dipyridophenazine or Imidazole Fused Phenanthroline Ligands: Spectral, Electrochemical, and Quantum Chemical Studies
2011
Deciphering the Reaction Dynamics Underlying Optimal Control Laser Fields
2003 Science
Electronic spectroscopy and photoreactivity in transition metal complexes
2003
Photodissociation Dynamics of Organometallics: Quantum Simulation for the Dihydride Complex H2Fe(CO)4
1997
A CAS SCF CCI study of the lowest excited states of HMn(CO)5 and Fe(CO)5
1987
Influence of the Halogen Ligand on the Near-UV−Visible Spectrum of [Ru(X)(Me)(CO)2(α-diimine)] (X = Cl, I; α-Diimine = Me-DAB, iPr-DAB; DAB = 1,4-Diaza-1,3-butadiene): An ab Initio and TD-DFT Analysis
2004
Spin-orbit induced radiationless transitions in organometallics: Quantum simulation of the intersystem crossing processes in the photodissociation of HCo(CO)4
1997
A computational mechanistic investigation of hydrogen production in water using the [RhIII(dmbpy)2Cl2]+/[RuII(bpy)3]2+/ascorbic acid photocatalytic system
2015
UV−Visible Absorption Spectra of [Ru(E)(E‘)(CO)2(iPr-DAB)] (E = E‘ = SnPh3 or Cl; E = SnPh3 or Cl, E‘ = CH3; iPr-DAB = N,N‘-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations
2001
Photo-induced redox catalysis for proton reduction to hydrogen with homogeneous molecular systems using rhodium-based catalysts
2015
Quantum chemical study of the electronic structure of NiCH2+ in its ground state and low-lying electronic excited states
2005
The vacuum-ultraviolet spectrum of iron pentacarbonyl: An experimental analysis supported by a CASSCF CCI study of the Rydberg states
1992
Dynamics of photochemical reactions: Simulation by quantum calculations for transition metal hydrides
1994
Photodissociation and Electronic Spectroscopy of Mn(H)(CO)3(H-DAB) (DAB = 1,4-Diaza-1,3-butadiene): Quantum Wave Packet Dynamics Based on ab Initio Potentials
1999
The photochemistry of transition metal hydrides: a CASSCF/CCI study of the photodissociation of manganese pentacarbonyl hydride
1992
Theoretical aspects of the photochemistry of organometallics. 3. Potential energy curves for the photodissociation of pentacarbonyliron (Fe(CO)5)
1984
Spectroscopy of Ru(II) polypyridyl complexes used as intercalators in DNA: Towards a theoretical study of the light switch effect
2007