Citation Impact
Citing Papers
An atomic and molecular database for analysis of submillimetre line observations
2005
Molecular junctions based on aromatic coupling
2008 StandoutNobel
Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory
2012 Standout
Catalytic Carbophilic Activation: Catalysis by Platinum and Gold π Acids
2007 Standout
Extreme Ultraviolet Fourier-Transform Spectroscopy with High Order Harmonics
2005 StandoutNobel
Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations
2002
One Century of Aryne Chemistry
2003 Standout
Hydrogen Storage in Microporous Metal–Organic Frameworks with Exposed Metal Sites
2008 Standout
Interactions with Aromatic Rings in Chemical and Biological Recognition
2003 Standout
The ReaxFF reactive force-field: development, applications and future directions
2016 Standout
Extracting subnanometer single shells from ultralong multiwalled carbon nanotubes
2005 StandoutNobel
Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes
1999 Standout
The ORCA quantum chemistry program package
2020 Standout
Rate Coefficients for the Propargyl Radical Self-Reaction and Oxygen Addition Reaction Measured Using Ultraviolet Cavity Ring-down Spectroscopy
1999
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
1998 StandoutNobel
On the effect of core correlation on the geometry and harmonic frequencies of small polyatomic molecules
1995
A comparison of models for calculating nuclear magnetic resonance shielding tensors
1996 Standout
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
1994 Standout
Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix
2006 StandoutNobel
Formation of polycyclic aromatic hydrocarbons and their growth to soot—a review of chemical reaction pathways
2000 Standout
Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations
2008 StandoutNobel
Microwave Spectra and Molecular Structures of (Z)-Pent-2-en-4-ynenitrile and Maleonitrile
2001
SHINING, A Survey of Far-infrared Lines in Nearby Galaxies. I. Survey Description, Observational Trends, and Line Diagnostics
2018 StandoutNobel
Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture
2004 Standout
A Combined Charge and Energy Decomposition Scheme for Bond Analysis
2009 Standout
The VUV photochemistry of radicals: C3H3and C2H5
2004
Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method
2007 StandoutNobel
An Efficient Linear-Scaling Electrostatic Coupling for Treating Periodic Boundary Conditions in QM/MM Simulations
2006
Small Carbon Clusters: Spectroscopy, Structure, and Energetics
1998
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
1996 Standout
Superoxide Ion: Generation and Chemical Implications
2016 Standout
Effects of electron correlation in the calculation of nuclear magnetic resonance chemical shifts
1993
Broad Family of Carbon Nanoallotropes: Classification, Chemistry, and Applications of Fullerenes, Carbon Dots, Nanotubes, Graphene, Nanodiamonds, and Combined Superstructures
2015 Standout
Aromatic Trifluoromethylation with Metal Complexes
2011 Standout
A new method of calculation of Franck–Condon factors which includes allowance for anharmonicity and the Duschinsky effect: Simulation of the He I photoelectron spectrum of ClO2
2000
The Nature of the Bonding in Transition-Metal Compounds
2000
The CO molecule: the role of basis set and correlation treatment in the calculation of molecular properties
1997
Molecular Clusters of π-Systems: Theoretical Studies of Structures, Spectra, and Origin of Interaction Energies
2000
Quantum Mechanical Continuum Solvation Models
2005 Standout
Detection and Characterization of the Cumulene Carbenes H 2 C 5 and H 2 C 6
1997 Science
Thick discs, and an outflow, of dense gas in the nuclei of nearby Seyfert galaxies
2016 StandoutNobel
Coupled-cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks
1994
The Only Stable State of O2-Is the X2ΠgGround State and It (Still!) Has an Adiabatic Electron Detachment Energy of 0.45 eV
2003
2013 Standout
Equilibrium Structure of cis-Hex-3-ene-1,5-diyne and Relevance to the Bergman Cyclization
2000
Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited
2002 Standout
Works of J. Flügge being referenced
Equilibrium geometry of HC3N
1993
Ab initio vibration—rotation coupling constants and the equilibrium geometries of NCCN and CNCN
1991
Structure of propadienylidene, H2CCC
1993
Calculated Spectroscopic Constants and the Equilibrium Geometry of HCNH+
1994
On the bending vibration of NH−2: An ab initio study
1993
A Theoretical Investigation of the Propargyl Radical and its Cation
1995
Ab initio calculations on molecules of interest to interstellar cloud chemistry
1993
The equilibrium geometry of H2BF and H2BCl
1994
Non-covalent binary interactions between some organic acids and bases
1997
Ab initio spectroscopic constants and the equilibrium geometry of HCCF
1993
A theoretical investigation of HC2NC and HNC3
1992
Quantum-chemical investigations of small molecular anions
1995