Citation Impact
Citing Papers
Theoretical Chemistry of Gold
2004 Standout
ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy
2013
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
2005 Standout
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
2009 Standout
Relativistic effects in homogeneous gold catalysis
2007 StandoutNature
2001 StandoutNobel
Accurate relativistic Gaussian basis sets for H through Lr determined by atomic self-consistent field calculations with the third-order Douglas–Kroll approximation
2001
Theoretical study of the homonuclear tetramers and pentamers of the group IB metals (Cu, Ag, and Au)
1990
Molecular beam electric resonance analysis of inelastic collisions: Vibrational relaxation of LiF scattered by polyatomic molecules
1974 StandoutNobel
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Self-consistent-field wavefunctions for complex molecules. The approximation of partial retention of diatomic differential overlap
1973 StandoutNobel
Symmetry rules for chemical reactions
1971
Quadrupole moments of CuH, AgH, and AuH. A study of the electron correlation and relativistic effects
1991
Theoretische Chemie des Golds
2004
Calculated paramagnetic properties of matrix isolated Au3 cluster
1995
Supersonic Molecular Beams of Alkali Dimers
1971 StandoutNobel
Statistical theory of angular distributions and rotational orientation in chemical reactions
1976 StandoutNobel
Relativistic pseudopotential calculation of bonding trends in XAu+ clusters (X = B−N, Al−S; n = 4−6)
1991
Platinum-centered octakis (triphenylphosphino gold) clusters: A relativistic MO study
1996
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
A b i n i t i o effective core potentials including relativistic effects. III. Ground state Au2 calculations
1979
Relativistic effects in a b i n i t i o effective core potentials for molecular calculations. Applications to the uranium atom
1978
Comment on ‘‘Relativistic effects in bonding and dipole moments for the diatomic hydrides of the sixth-row heavy elements’’
1991
Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
2008 Standout
Linear response at the 4-component relativistic level: Application to the frequency-dependent dipole polarizabilities of the coinage metal dimers
2002
Cationic Gold(I) Complexes of Xenon and of Ligands Containing the Donor Atoms Oxygen, Nitrogen, Phosphorus, and Sulfur
1998
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
2018 Standout
Ultraviolet photoelectron spectra of coinage metal clusters
1992 StandoutNobel
Supramolecular Chemistry: Receptors, Catalysts, and Carriers
1985 StandoutScienceNobel
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Relativistic and correlated all-electron calculations on the ground and excited states of AgH and AuH
2000
Relativistic ab initio model potential calculations including spin–orbit effects through the Wood–Boring Hamiltonian
1995
The zero-order regular approximation for relativistic effects: The effect of spin–orbit coupling in closed shell molecules
1996 Standout
Relativistic all electron configuration interaction calculation of ground and excited states of the gold hydride molecule
1989
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
1994 Standout
Relativistic effects on R e and D e in AgH and AuH from all-electron Dirac–Hartree–Fock calculations
1982
Relativistic self-consistent-field methods for molecules. III. All-electron calculations on diatomics HI, HI+, AtH, and AtH+
1992
Configuration Interaction in the Simple Nonionic Valence-Bond Wavefunction for the H2I2 Reaction Complex
1969
Theoretical Study of SO2 Molecular Properties
1970
Electron Affinities of Aln Clusters and Multiple-Fold Aromaticity of the Square Al42- Structure
2002
Femtosecond probing of bimolecular reactions: The collision complex
1991 StandoutNobel
Principles of direct 4-component relativistic SCF: application to caesium auride
1997
Elastic Electron Scattering Amplitudes for Neutral Atoms Calculated Using the Partial Wave Method at 10, 40, 70, and 100 kV for Z = 1 to Z = 54
1967
Application of effective potentials to relativistic hartree—fock calculations
1978
AB initio effective core potentials including relativistic effects. A procedure for the inclusion of spin-orbit coupling in molecular wavefunctions
1981
Orbital Symmetry Control of Chemical Reactions
1970 StandoutScienceNobel
Relativistic and correlation effects in CuH, AgH, and AuH: Comparison of various relativistic methods
1995
A scalar-relativistic extension of the linear combination of Gaussian-type orbitals local density functional method: application to AuH, AuCl and Au2
1992
Inclusion of relativistic effects into ZDO methods. VI. Stability or Jahn-Teller instability of octahedral gold and copper complexes
1990
Four Important Factors in the ab initio Determination of Accurate Inter-Ionic Potentials
1990
Metal nanoparticles and their assemblies
2000
Vibrational relaxation in seeded supersonic alkali halide beams
1977 StandoutNobel
Molecular beam kinetics: Long-lived collision complexes in reactions of K, Rb, and Cs with SnCl4 and SF6
1973 StandoutNobel
Theoretical chemistry of gold. II
2005
Compounds of Alkali Metal Anions
1979
Ballistic Mechanism for Vibrational and Rotational Energy Transfer in Ar + CsI Collisions
1972 StandoutNobel
Bonding in the homologous series CsAu, CsAg, and CsCu studied at the 4-component density functional theory and coupled cluster levels
2003
A b i n i t i o effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au2+, TlH, PbS, and PbSe
1980
Geometrical and Electronic Structures of Gold, Silver, and Gold−Silver Binary Clusters: Origins of Ductility of Gold and Gold−Silver Alloy Formation
2003
On the electronic structures of the gold tetramer clusters
2002
Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation
2012
Relativistic effects in gold chemistry. VI. Coupled cluster calculations for the isoelectronic series AuPt−, Au2, and AuHg+
1999
A Comparative Computational Study of Cationic Coinage Metal−Ethylene Complexes (C2H4)M+ (M = Cu, Ag, and Au)
1996
Spin—orbit effects on heavy metal octahedral clusters
1993
Aurophilie als konzertierter Effekt: Relativistische MO‐Berechnungen für Kohlenstoff‐zentrierte Goldcluster
1989
Synthese, Struktur und Diskussion der Bindungsverhältnisse des Kations [{(C6H5)3PAu}5C]⊕
1989
LDA electronic structure calculations on Au13 cluster
1997
23Na NMR spectrum of the sodium anion
1974
The accuracy of the pseudopotential approximation. III. A comparison between pseudopotential and all-electron methods for Au and AuH
2000
Absolute shielding scale for 31P from gas-phase NMR studies
1990
Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis sets
1976 StandoutNobel
Small elemental clusters. I. The structures of Be2, Be3, Be4, and Be5
1980 StandoutNobel
The nature of the hydrated excess proton in water
1999 StandoutNature
Resolution of 129Xe Chemical Shifts at Ultralow Magnetic Field
2001 StandoutNobel
Femtosecond real-time probing of reactions. VIII. The bimolecular reaction Br+I2
1992 StandoutNobel
Density functional calculations of molecular hyperfine interactions in the zero order regular approximation for relativistic effects
1998
A new computational scheme for the Dirac–Hartree–Fock method employing an efficient integral algorithm
2001
NMR of optically pumped xenon thin films
1992
Structure and dynamics of the lowest triplet state in p-benzoquinone
1977
Mechanism of the Reaction H2+D2→2HD. A Simple Molecular Orbital Description
1970
Ab initiopseudopotentials for Hg through Rn
1991
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
1985 Standout
A b i n i t i o effective core potentials including relativistic effects. I. Formalism and applications to the Xe and Au atoms
1977
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
2005 Standout
Light emission during the agglomeration of silver clusters in noble gas matrices
1998 StandoutNobel
Potential energy surfaces for simple chemical reactions: Li+F2→LiF+F
1973
Molecular Structure of Metal Halides
2000
A generator coordinate version of the closed-shell Dirac–Fock equations
1996
Ab initio molecular calculations including spin-orbit coupling. I. Method and atomic tests
1983
Spectroscopic properties for the ground states of AuF, AuF+, AuF2, and Au2F2: A pseudopotential scalar relativistic Mo/ller–Plesset and coupled-cluster study
1995
The static dipole polarizabilities of all the neutral atoms in their ground states
1971
Optical spectra of alkali metal anion and ’’electride’’ films
1978 StandoutNobel
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
1985 Standout
6-31G* basis set for atoms K through Zn
1998 StandoutNobel
Relativistic Effects in Chemical Systems
1985
Recent Advances in Ultrathin Two-Dimensional Nanomaterials
2017 Standout
Electron Diffraction Investigation of Dimethyl Diselenide
1971 StandoutNobel
Distant intramolecular interaction between identical chromophores: The n-π* excited states of p-benzoquinone
1978 StandoutNobel
Inversion of orbiting scattering from elastic collisions of reactive molecules
1975 StandoutNobel
Molecular beam kinetics: Angular distributions and chemiluminescence in reactions of alkali dimers with halogen atoms and molecules
1975 StandoutNobel
Electron diffraction investigation of 1-methoxycyclohexene
1973 StandoutNobel
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
The dipole moment of AuH
1991
Strong Closed-Shell Interactions in Inorganic Chemistry
1997 Standout
Role of Frontier Orbitals in Chemical Reactions
1982 StandoutScienceNobel
Study of the reaction dynamics of Li+HF, HCl by the crossed molecular beams method
1980 StandoutNobel
Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet
2018 StandoutScience
Gold-Catalyzed Organic Reactions
2007 Standout
A theoretical study of the low-lying states of the AuSi molecule: An assignment of the excited A and D states
2002
Quasirelativistic studies of molecular electric properties: Dipole moments of the group IVa oxides and sulfides
1993
Relativistic electronic structure of an icosahedral Au12Pd cluster
1999
Interaction potentials for Br(2P)+Ar, Kr, and Xe (1S) by the crossed molecular beams method
1981 StandoutNobel
Aurophilicity as Concerted Effect: Relativistic MO Calculations on Carbon‐Centered Gold Clusters
1989
New Versions of Approximately Extensive Corrected Multireference Configuration Interaction Methods
1996
Pseudo-potential approach including relativistic effects
1978
Tetrahedral gold–phosphine clusters: a relativistic molecular orbital study
1994
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
1992 Standout
High precision valence bond potential curve for the Cl2 molecule
1970
Calculated properties of the ‘empty’[AuPH3]2+4and related systems: role of covalent and correlation contributions
1993
Molecular Beam Kinetics: Four-Atom Collision Complexes in Exchange Reactions of CsCl with KCl and KI
1972 StandoutNobel
Hydrated proton clusters and solvent effects on the proton transfer barrier: A density functional study
1994
Works of Gulzari Malli being referenced
Ab initio fully relativistic molecular calculations: bonding in gold hydride
1986
Physical properties of many-electron atomic systems evaluated from analytical Hartree-Fock functions
1966
Many-Electron Systems: Properties and Interactions
1968
Bonding in the octahedral Au62+ cluster
1986
Relativistic and Electron Correlation Effects in Molecules and Solids
1994
Dirac scattered-wave calculations for Ag2+3, Auq+3, and Auq+4 (q=1, 2) clusters
1986
Bonding, optical, and magnetic properties of paramagnetic Ag41+ and Ag43+ clusters
1987
Dirac scattered-wave study of trigonal bipyramidal silver clusters Ag5q+ (q=0, 2–4)
1986
Universal Gaussian basis set for accurateab initio/PrelativisticDirac-Fockcalculations
1993
Effective core potentials for fully relativistic Dirac–Fock calculations
1981
Accurate ab initio relativistic Dirac–Fock–Coulomb calculations on heavy atoms using universal Gaussian basis set
1993
Ab initio relativistic self-consistent-field (RSCF) wavefunctions for the diatomics Li2 and Be2
1980
ACCURATE ANALYTICAL SELF-CONSISTENT-FIELD (SCF) HARTREE–FOCK (H–F) WAVE FUNCTIONS FOR SECOND-ROW ATOMS
1966
Dirac scattered-wave calculations on an icosahedralAu 13
1987
Relativistic universal Gaussian basis set for Dirac—Fock—Coulomb and Dirac—Fock—Breit SCF calculations on heavy atoms
1993
Validity of first-order perturbation theory for relativistic energy corrections
1981
Universal Gaussian basis set for relativistic calculations on atoms and molecules
1993
Relativistic symmetry spinors for polyatomics. II
1976
Highly accurate relativistic universal Gaussian basis set: Dirac–Fock–Coulomb calculations for atomic systems up to nobelium
1994
Reply to ‘‘Comment on ‘Relativistic effects in bonding and dipole moments for the diatomic hydrides of sixth-row elements’’
1991
Dirac-Fock-Breit self-consistent-field method: Gaussian basis-set calculations on many-electron atoms
1991
Diamagnetic susceptibilities calculated from numerical hartree-fock wave functions
2009
Calculated optical and magnetic properties of hexafluorouranate (V) anion: UF6−
2004
Relativistic molecular symmetry spinors for diatomics
1974
Calculated electronic structure ofAu 13
1989
Physical properties of many-electron atomic systems evaluated from analytical Hartree-Fock functions
1967
Ab initio Dirac—Fock self-consistent field calculations for open-shell heavy-atom systems: bonding in AuH+ ion
1992
Nuclear magnetic shielding constants calculated from numerical hartree-fock wave functions
2009
Relativistic modifications of inter-ionic potentials in lead fluoride
1987
Ab initio all-electron fully relativistic Dirac–Fock–Breit calculations for molecules of the superheavy transactinide elements: Rutherfordium tetrachloride
1998
Relativistic Effects in Atoms, Molecules, and Solids
1983
Relativistic effects in bonding and dipole moments for the diatomic hydrides of the sixth-row heavy elements
1988
Vector Coupling Coefficients for Atomic Self-Consistent-Field (SCF) Calculations
1965
Relativistic symmetry spinors for polyatomics
1976
Physical properties of many-electron atomic systems evaluated from analytical Hartree-Fock functions
1966
Molecular Schrödinger Equation. IX. Square and Rectangular States of H4 and the Molecular Ions H43+ and H42+
1969
Relativistic self-consistent-field methods for molecules. I. Dirac–Fock multiconfiguration self-consistent-field theory for molecules and a single-determinant Dirac–Fock self-consistent-field method for closed-shell linear molecules
1980
Ab initio all-electron Dirac–Fock–Breit calculations for ThF4 using relativistic universal Gaussian basis set
1994
Relativistic self-consistent-field (RSCF) theory for closed-shell molecules
1975