Citation Impact
Citing Papers
First principles Monte Carlo simulations of aggregation in the vapor phase of hydrogen fluoride
2010
Molecular Single‐Bond Covalent Radii for Elements 1–118
2008 Standout
Extreme Ultraviolet Fourier-Transform Spectroscopy with High Order Harmonics
2005 StandoutNobel
Rotational Feshbach Resonances in Ultracold Molecular Collisions
2002
CH bonds with a Positive Dipole Gradient Can Form Blue‐Shifting Hydrogen Bonds: The Complex of Halothane with Methyl Fluoride
2008
Chirality Recognition between Neutral Molecules in the Gas Phase
2008
Molecular spectroscopy and dynamics: a polyad-based perspective
2013
Laser diode photoacoustic and FTIR laser spectroscopy of formaldehyde in the 2.3 μm and 3.5 μm spectral range
2009
Molecular Clusters: Structure and Dynamics of Weakly Bound Systems
1996
Ionization from a double bond: Rovibronic photoionization dynamics of ethylene, large amplitude torsional motion and vibronic coupling in the ground state of C2H4+
2004
Aggregation‐Induced Emission: The Whole Is More Brilliant than the Parts
2014 Standout
Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies
2003 Standout
A Variationally Computed T = 300 K Line List for NH3
2009
Computer Simulation of Liquids
2017 Standout
A Nested Molecule-Independent Neural Network Approach for High-Quality Potential Fits
2005
HITEMP, the high-temperature molecular spectroscopic database
2010 Standout
Using neural networks to represent potential surfaces as sums of products
2006
Hydrogen bonding and proton transfer in small hydroxylammonium nitrate clusters: A theoretical study
2003
Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations
2000
Variational quantum approaches for computing vibrational energies of polyatomic molecules
2008
Using redundant coordinates to represent potential energy surfaces with lower-dimensional functions
2007
Collisional dynamics of ultracold OH molecules in an electrostatic field
2002
Defining the hydrogen bond: An account (IUPAC Technical Report)
2011
Molpro: a general‐purpose quantum chemistry program package
2011 Standout
Aggregation-Induced Emission: Together We Shine, United We Soar!
2015 Standout
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
Attosecond streaking metrology with isolated nanotargets
2017 StandoutNobel
Interpolating moving least-squares methods for fitting potential energy surfaces: Using classical trajectories to explore configuration space
2009
Interpolating moving least-squares methods for fitting potential energy surfaces: Computing high-density potential energy surface data from low-densityab initiodata points
2007
Photophysics of hydrogen bonded diarylethene dimers in the liquid phase
2012
Definition of the hydrogen bond (IUPAC Recommendations 2011)
2011 Standout
Feshbach resonances in ultracold gases
2010 Standout
Formaldehyde in the Indoor Environment
2010 Standout
Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function
2004
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2017 Standout
Production of cold formaldehyde molecules for study and control of chemical reaction dynamics with hydroxyl radicals
2006
Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions
2008
Interpolating moving least-squares methods for fitting potential-energy surfaces: Further improvement of efficiency via cutoff strategies
2006
Modeling nitrogen chemistry in combustion
2018 Standout
Search for a Strong, Virtually “No‐Shift” Hydrogen Bond: A Cage Molecule with an Exceptional OH⋅⋅⋅F Interaction
2014
Recent Developments in the Methods and Applications of the Bond Valence Model
2009 Standout
Coupled-cluster theory in quantum chemistry
2007 Standout
A simple and efficient CCSD(T)-F12 approximation
2007 Standout
Efficient calculation of potential energy surfaces for the generation of vibrational wave functions
2004
Fully relativisticab initiocalculations of the energies of chiral molecules including parity-violating weak interactions
1999
On representing chemical environments
2013 Standout
The exciton model in molecular spectroscopy
1965 Standout
The Halogen Bond
2016 Standout
Binding in Radical-Solvent Binary Complexes: Benchmark Energies and Performance of Approximate Methods
2013
Applications of Fluorine in Medicinal Chemistry
2015 Standout
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
2019 Standout
Vibrational analyses for CHFClBr and CDFClBr based on high level ab initio calculations
2006
Unravelling combustion mechanisms through a quantitative understanding of elementary reactions
2005
Permutationally invariant potential energy surfaces in high dimensionality
2009 Standout
Interpolating moving least-squares methods for fitting potential energy surfaces: Improving efficiency via local approximants
2007
Simplified CCSD(T)-F12 methods: Theory and benchmarks
2009 Standout
Interpolating moving least-squares methods for fitting potential energy surfaces: Applications to classical dynamics calculations
2004
The INV24 test set: how well do quantum-chemical methods describe inversion and racemization barriers?
2016
Vibrational energy levels of CH5+
2008
Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system
2004
Works of David Luckhaus being referenced
The vibrational spectrum of HONO: Fully coupled 6D direct dynamics
2003
Mode selective stereomutation tunnelling in hydrogen peroxide isotopomers
1999
Global Analytical Potential Energy Surface for the Electronic Ground State of NH3 from High Level ab Initio Calculations
2013
Mode Selective Stereomutation and Parity Violation in Disulfane Isotopomers H2S2, D2S2, T2S2
2001
Ab initio calculations of mode selective tunneling dynamics in CH312OH and CH313OH
2003
Combined high resolution infrared and microwave study of bromochlorofluoromethane
1997
A monomers-in-dimers model for carboxylic acid dimers
2003
Intramolecular vibrational redistribution and unimolecular reaction: Concepts and new results on the femtosecond dynamics and statistics in CHBrClF
1997
A global electric dipole function of ammonia and isotopomers in the electronic ground state
2003
6D vibrational quantum dynamics: Generalized coordinate discrete variable representation and (a)diabatic contraction
2000
Stereomutation dynamics in hydrogen peroxide
2007
Nanofocusing, shadowing, and electron mean free path in the photoemission from aerosol droplets
2016
A new six-dimensional analytical potential up to chemically significant energies for the electronic ground state of hydrogen peroxide
1999
Observation and quantification of the hydrogen bond effect on O–H overtone intensities in an alcohol dimer
2008
The rovibrational spectrum of hydroxylamine: A combined high resolution experimental and theoretical study
1997
Fermi resonance structure and femtosecond quantum dynamics of a chiral molecule from the analysis of vibrational overtone spectra of CHBrClF
1996
Photoionization of small sodium-doped acetic acid clusters
2011
Experimental and theoretical vibrational overtone spectra of vCH=3, 4, 5, and 6 in formaldehyde (H2CO)
1996
On FTIR Spectroscopy in Asynchronously Pulsed Supersonic Free Jet Expansions and on the Interpretation of Stretching Spectra of HF Clusters
1995