Citation Impact
Citing Papers
A grid of MARCS model atmospheres for late-type stars
2008 Standout
Molecular Single‐Bond Covalent Radii for Elements 1–118
2008 Standout
A LiCl‐Mediated Br/Mg Exchange Reaction for the Preparation of Functionalized Aryl‐ and Heteroarylmagnesium Compounds from Organic Bromides
2004 Standout
An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis
2007
Molecular spectroscopy and dynamics: a polyad-based perspective
2013
Sisyphus cooling of electrically trapped polyatomic molecules
2012 Nature
Anharmonic resonances in the C–H stretch region of ethoxy adsorbed on W(): vibrational spectroscopy and calculations
2003
Rotation assisted vibrational energy relaxation of matrix isolated small polyatomic molecules: CH3F, 12CD3F, 13CD3F in Ne, Ar, Kr and Xe
1980
Titan's North–South Asymmetry from HST and Voyager Imaging: Comparison with Models and Ground-Based Photometry
1997
Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set
2008
Extension of Gaussian-2 (G2) theory to bromine- and iodine-containing molecules: Use of effective core potentials
1995
Infrared spectroscopy of jet-cooled transient molecules
1989 StandoutNobel
Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation (ZORA) for relativistic effects: ZORA nuclear magnetic resonance
1999
Fermi resonance coupling in a surface adsorbate: The C–H stretch in methoxy adsorbed on Cu(100) calculations and experiments
2000
Improving the accuracy of the nonlocal van der Waals density functional with minimal empiricism
2009
Aggregation‐Induced Emission: The Whole Is More Brilliant than the Parts
2014 Standout
Oxidation of Alcohols with Molecular Oxygen on Solid Catalysts
2004 Standout
An ab initio molecular dynamics study of the SN2 reaction Cl−+CH3Br→CH3Cl+Br−
1999
Titan's bright spots: Multiband spectroscopic measurement of surface diversity and hazes
2006 StandoutNobel
Titan's atmosphere and hypothesized ocean: A reanalysis of the Voyager 1 radio-occultation and IRIS 7.7-μm data
1989
Models of late-type stellar photospheres
1994
Reaction of H2 and N+ Ion under Titan's Atmosphere
2006
Organic Chemical Reactions in Supercritical Water
1999 Standout
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
1998 Standout
Van der Waals density functionals applied to solids
2011 Standout
The performance of B3-LYP density functional theory in describing SN2 reactions at saturated carbon
1996
Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models
1998 Standout
Measurement of aerosol sulfuric acid: 2. Pronounced layering in the free troposphere during the second Aerosol Characterization Experiment (ACE 2)
2001 StandoutNobel
Anharmonic vibrational relaxation dynamics for a molecular impurity mode in alkali halide crystals
1984 StandoutNobel
Solvent and temperature dependence of the fermi resonance parameters in methanol
1982 StandoutNobel
Calculation of DFT-GIAO NMR shifts with the inclusion of spin-orbit coupling
1998
The zero-order regular approximation for relativistic effects: The effect of spin–orbit coupling in closed shell molecules
1996 Standout
Challenges for Density Functional Theory
2011 Standout
Titan: High-Resolution Speckle Images from the Keck Telescope
1999 StandoutNobel
Line strengths of the ν2 + ν3 and ν3 − ν2 bands of methane (12CH4)
1992
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
An Evaluation of Harmonic Vibrational Frequency Scale Factors
2007 Standout
The Role of Ate Complexes in Halogen(Metalloid)–Metal Exchange Reactions: A Theoretical Study
1998
A general purpose exchange-correlation energy functional
1993
Roles of Water for Chemical Reactions in High-Temperature Water
2002 Standout
Quantitative determination of molecular adsorption structures using photoelectron diffraction: the methoxy species
1995 StandoutNobel
High-energy overtone spectroscopy of some deuterated methanes
1985 StandoutNobel
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
Femtosecond Activation of Reactions and the Concept of Nonergodic Molecules
1998 StandoutScienceNobel
Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
2017 Standout
Microwave Spectrum of 2-Aminoethanol: Structural Effects of the Hydrogen Bond
1971 StandoutNobel
Anharmonicity of CH3 deformation vibrations and Fermi resonance between the symmetrical CH3 stretching mode and overtones of CH3 deformation vibrations
1972
WIEN2k: An APW+lo program for calculating the properties of solids
2020 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
Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory
1999
Microwave Spectra and Intramolecular Hydrogen Bonding in the 2-Haloethanols: Molecular Structure and Quadrupole Coupling Constants for 2-Chloroethanol and 2-Bromoethanol
1970
Chemistry with ADF
2001 Standout
Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory
2009
Microwave spectrum, dipole moment, and structure of 3-aminopropanol
1979 StandoutNobel
The anharmonic force field and equilibrium structure of methane
1979
6‐31G* basis set for third‐row atoms
2001 StandoutNobel
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2017 Standout
Densities of vibrational states of given symmetry species. Linear molecules and rovibrational states of nonlinear molecules
1984 StandoutNobel
New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)
2005 Standout
Maximally localized Wannier functions: Theory and applications
2012 Standout
The HITRAN database: 1986 edition
1987
The ν4 and ν2 Raman bands of CHD3
1976
Cold jet infrared absorption spectroscopy: Fermi resonance in the ν5/2ν8 bands of PF5
1985
Theories of intramolecular vibrational energy transfer
1991
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
1996 Standout
Development of a tunable diode laser absorption spectrometer for measurements of the ratio in methane
1993 StandoutNobel
High resolution infrared spectrum of CH2D2
1975
Higher-accuracy van der Waals density functional
2010 Standout
Tailoring the volatility and stability of oligopeptides
2017 StandoutNobel
Probing Surface Reaction Mechanisms Using Chemical and Vibrational Methods: Alkyl Oxidation and Reactivity of Alcohols on Transitions Metal Surfaces
1996
Liquids and solids on the surface of Titan: results of a new photochemical model
1994
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
Systematic optimization of long-range corrected hybrid density functionals
2008 Standout
A study of vibrational anharmonicity, fermi resonance interactions, and local mode behavior in CH3Cl
1990
Density Functionals with Broad Applicability in Chemistry
2008 Standout
The highly excited C–H stretching states of CHD3, CHT3, and CH3D
1984 StandoutNobel
Microwave spectrum of salicyl aldehyde: Structure of the hydrogen bond
1972 StandoutNobel
Role of water in formic acid decomposition
1998
Ab initio calculations and high resolution infrared investigation on XeF4
1996
Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb–Oxford bound
2008
Performance of coupled cluster theory in thermochemical calculations of small halogenated compounds
2003
Estimates of the direct and indirect radiative forcing due to tropospheric aerosols: A review
2000 Standout
Microwave spectrum of 2-nitrophenol: Structure of the hydrogen bond
1973 StandoutNobel
Adsorbate symmetry and Fermi resonances of methoxide adsorbed on Mo(110) as studied by surface infrared spectroscopy
1994
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
2008 Standout
The equilibrium structure of silene H2C=SiH2 from millimeter wave spectra and from ab initio calculations
1997
A review and analysis of microwave absorption in polymer composites filled with carbonaceous particles
2012 Standout
Simplified CCSD(T)-F12 methods: Theory and benchmarks
2009 Standout
Radiative forcing due to tropospheric ozone and sulfate aerosols
1997
Speckle imaging of Titan at 2 microns: surface albedo, haze optical depth, and tropospheric clouds 1996–1998
2004 StandoutNobel
State of the art and perspectives in catalytic processes for CO2 conversion into chemicals and fuels: The distinctive contribution of chemical catalysis and biotechnology
2016
Works of G. Graner being referenced
Structure of free polyatomic molecules : basic data
1998
Structure data of free polyatomic molecules
1995
The GEISA spectroscopic line parameters data bank in 1984
1986
High resolution infrared spectrum of CH3Br: The ν4 band near 3100 cm−1
1974
Determination of A 0 for CH3F from ground-state combination differences
1976
The ν5 and ν3 Raman bands of CH2D2
1976
Extensive high-resolution study of the crowded rovibrational CH3F spectrum around 3000 cm−1
1981
Ground-state molecular constants of bideuterated methane
1973
The methyl bromide molecule: A critical consideration of perturbations in spectra
1981
Modeling Titan's Thermal Infrared Spectrum for High-Resolution Space Observations
1993
About Hot Bands and PAPE Bands in Spectra of C3 Symmetric Top Molecules
1993
Simultaneous analysis of the ν1, ν4, 2ν2, ν2 + ν5, and 2ν5 infrared bands of 12CH3F
1982
The vibrational energy pattern in propyne (12CH312C2H)
2001
Fine structure in the ν1 band of CH3Cl near 2970 cm−1
1969
Simultaneous analysis of the 2ν2, 2ν5, and ν2 + ν5 vibration-rotation bands of CH3Br
1978
Microwave Spectrum, Barrier to Internal Rotation, Structural Information, and Quadrupole Coupling of 1-Chloro-1,1-difluoroethane
1968
High-resolution infrared spectrum of CH2D2
1975
The carbon dioxide molecule
1986
Can High‐Resolution Molecular Spectroscopy Help to Understand Intramolecular Energy Transfers?
1988
Resonances and doublings in the infrared spectrum of CH3D at 9
1972