Citation Impact
Citing Papers
Why gold nanoparticles are more precious than pretty gold: Noble metal surface plasmon resonance and its enhancement of the radiative and nonradiative properties of nanocrystals of different shapes
2005 Standout
Catalytic Carbophilic Activation: Catalysis by Platinum and Gold π Acids
2007 Standout
Theoretical Chemistry of Gold
2004 Standout
Relativistic effects in homogeneous gold catalysis
2007 StandoutNature
Light-responsive reversible solvation and precipitation of gold nanoparticles
2009 StandoutNobel
Effect of the damping function in dispersion corrected density functional theory
2011 Standout
Two-color photoionization of naphthalene and benzene at threshold
1981 StandoutNobel
The use of model potentials in molecular calculations. I
1982
Intermolecular potentials for CH4, CH3F, CHF3, CH3Cl, CH2Cl2, CH3CN, and CO2
1984
Theoretische Chemie des Golds
2004
Characterization of the bifurcated structure of the water dimer
1991 StandoutNobel
SCF, MP2, and CEPA‐1 calculations on the OH ‥ O hydrogen bonded complexes (H2O)2 and (H2O‐H2CO)
1990
On the consistent definition of spin–orbit effects calculated by relativistic effective core potentials with one-electron spin–orbit operators: Comparison of spin–orbit effects for Tl, TlH, TlH3, PbH2, and PbH4
1999
Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide
1994 Standout
Direct reaction field force field: A consistent way to connect and combine quantum-chemical and classical descriptions of molecules
1996
Observation of laser-induced associative ionization in crossed-beam Na+Li collisions
1981
Transition structures for the interchange of hydrogen atoms within the water dimer
1990 StandoutNobel
Algebraic variational and propagation formalisms for quantal dynamics calculations of electronic-to-vibrational, rotational energy transfer and application to the quenching of the 3p state of sodium by hydrogen molecules
1994
Molecular models for the solvation of small ions and polar molecules
1975
Nonadditive, three-body dipoles and forces on nuclei: New interrelations and an electrostatic interpretation
1996
On the ionization potential of small metal and dielectric particles
1988 StandoutNobel
Photoexcitation of reaction complexes in the reaction K+NaCl→KCl+Na
1986 StandoutNobel
Femtosecond Real-Time Probing of Reactions. 19. Nonlinear (DFWM) Techniques for Probing Transition States of Uni- and Bimolecular Reactions
1996 StandoutNobel
Thermal Decomposition of the Non-Interstitial Hydrides for the Storage and Production of Hydrogen
2004 Standout
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?
1996 Standout
On the first principles Hartree—Fock and local density pseudopotentials
1978
The zero-order regular approximation for relativistic effects: The effect of spin–orbit coupling in closed shell molecules
1996 Standout
Gold-Catalyzed Cycloisomerizations of Enynes: A Mechanistic Perspective
2008 Standout
An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients
1984
Force fields for silicas and aluminophosphates based onab initiocalculations
1990 Standout
Fluorescence of the Na*–N2 collision complex
1984
Ground-state properties of alkali dimers and their cations (including the elements Li, Na, and K) from a b i n i t i o calculations with effective core polarization potentials
1984
Calculations of the pseudopotential for the excess electron in water and methane
1975 Nobel
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
General atomic and molecular electronic structure system
1993 Standout
Carrier-Based Ion-Selective Electrodes and Bulk Optodes. 1. General Characteristics
1997 Standout
Atomic coreless Hartree–Fock pseudopotentials for atoms K through Zn
1978
Ligand Effects in Homogeneous Au Catalysis
2008 Standout
A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds
1982
Molecular spinors from the quasi-relativistic pseudopotential approach
1979
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
2000 Standout
Roles of Water for Chemical Reactions in High-Temperature Water
2002 Standout
Relativistic and correlation effects in pseudopotential calculations for Br, I, HBr, HI, Br2, and I2
1986
A b i n i t i o study of intermolecular potential of H2O trimer
1991
Calculation of equilibrium geometries and ionization energies of sodium clusters up to Na8
1979
Calculations of the tunneling splittings in water dimer and trimer using diffusion Monte Carlo
1995
Basis-set convergence of correlated calculations on water
1997 Standout
Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements
2003 Standout
Ground state properties and optical response of LixNa4−x, x=0–4: An a b i n i t i o study
1992 StandoutNobel
A unified view of ligand-protected gold clusters as superatom complexes
2008 Standout
A b i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons
1976
Molecular-dynamics simulation of liquid water with anab initioflexible water-water interaction potential
1986
Quantum-mechanical calculations of solvation free energies. A combined ab initio pseudopotential free-energy perturbation approach
1992 StandoutNobel
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Laser production of supersonic metal cluster beams
1981 StandoutNobel
Preparation and photoionization potentials of molecules of sodium, potassium, and mixed atoms
1978
Quantum Monte Carlo simulations of solids
2001 Standout
Non-empirical pseudopotentials for molecular calculations
1977
1,1′-Bis(N,N-dimethylamino)ferrocene,1,1′-bis(N,N-dimethylamino) cobaltocenium hexafluorophosphate and 1,1′-bis(N,N-dimethylamino)titanocene dichloride. Crystal structure of 1,1′-bis(N,N-dimethylamino)titanocene dichloride
1984
Alternative Synthetic Methods through New Developments in Catalysis by Gold
2008 Standout
From Aggregation-Induced Emission of Au(I)–Thiolate Complexes to Ultrabright Au(0)@Au(I)–Thiolate Core–Shell Nanoclusters
2012 Standout
A theoretical ab initio SCF CI investigation of the Na + H2 reaction: The possibility of new photoreactive channels in the 4 eV region
1985
Compact effective potentials and efficient shared-exponent basis sets for the first- and second-row atoms
1984 Standout
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
1985 Standout
The adiabatic ionization potentials of the alkali dimers Na2, NaK and K2
1981
Self-interaction correction to density-functional approximations for many-electron systems
1981 Standout
New basis set superposition error free ab initio MO-VB interaction potential: Molecular-dynamics simulation of water at critical and supercritical conditions
1998
An ab initio derived torsional potential energy surface for (H2O)3. II. Benchmark studies and interaction energies
1995
An evaluation of water cluster geometries derived from semi-empirical AM1 calculations
1988
Collisions of excited Na atoms with H2 molecules. I. A b i n i t i o potential energy surfaces and qualitative discussion of the quenching process
1981
Ab initio molecular calculations including spin-orbit coupling. I. Method and atomic tests
1983
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
1985 Standout
Supersonic cluster beams of III–V semiconductors: GaxAsy
1986 StandoutNobel
A theoretical study of the water dimer interaction
1988
CARS spectroscopy of the NaH2 collision complex: the nature of the Na(32P)H2 exciplex — ab initio calculations and experimental results
1990
Quantum Mechanical Continuum Solvation Models
2005 Standout
Role of Frontier Orbitals in Chemical Reactions
1982 StandoutScienceNobel
Supersonic copper clusters
1983 StandoutNobel
Gold-Catalyzed Organic Reactions
2007 Standout
The contribution of dispersion to H-bonds between hydrides of first and second-row atoms
1986
Effective core potential methods for the lanthanides
1993 Standout
The physics of simple metal clusters: experimental aspects and simple models
1993 Standout
Pseudo-potential approach including relativistic effects
1978
Structures, harmonic frequencies and infrared intensities of the dimers of H2O and H2S
1986
Chemical Redox Agents for Organometallic Chemistry
1996 Standout
Gold(I)-Catalyzed Activation of Alkynes for the Construction of Molecular Complexity
2015 Standout
Dynamics of nonadiabatic reactions (theory). I. Branching ratios for early and late seams
1985 StandoutNobel
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
1998 Standout
Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many-body interactions
1994
Works of Peter Habitz being referenced
Quasi-relativistic modeltotential approach. Spin-orbit effects on energies and geometries of several di- and tri-atomic molecules
1981
Electronic correlation contribution to the three‐body potentials for water trimers
1983
A new two-body water-water potential
1983
Nonadiabatic transitions in diatoms with one valence electron: Calculations of potential curves and differential cross sections for Li+ + Na
1975
The anisotropic van der waals potential for He-N2
1982
Spektren und Grenzorbitale von Ti(IV)‐di‐cyclopentadienyl‐Komplexen
1972
Model potential calculations for ground and excited states of LiNa
1977
Surface hopping trajectory calculations for electronic rotational and vibrational inelastic collisions for the Na-N2 system
1983
Accuracy and limitations of the pseudopotential method
1974
Potential curves for the ground and excited states of the NaN2 system
1980