Citation Impact
Citing Papers
Self-assembly of metal–organic polyhedra into supramolecular polymers with intrinsic microporosity
2018 StandoutNobel
Hirshfeld atom refinement
2014
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
Asymmetric Counteranion‐Directed Catalysis: Concept, Definition, and Applications
2012 StandoutNobel
Sub-phonon-period compression of electron pulses for atomic diffraction
2015 StandoutNobel
Cellulose nanomaterials review: structure, properties and nanocomposites
2011 Standout
Highly controlled acetylene accommodation in a metal–organic microporous material
2005 StandoutNatureNobel
Crystal structure refinement withSHELXL
2014 Standout
Electron Transfer in a Virtual Quantum State ofLiBH 4
2012
Brønsted Acid Catalyzed Asymmetric SN2‐Type O‐Alkylations
2013 StandoutNobel
Coordination polymer gels: soft metal–organic supramolecular materials and versatile applications
2016
Dynamic Motion of Building Blocks in Porous Coordination Polymers
2006 StandoutNobel
Ordering of Hydrogen Bonds in High-Pressure Low-TemperatureH 2 O
2005 StandoutNobel
Metastable Sorption State of a Metal–Organic Porous Material Determined by In Situ Synchrotron Powder Diffraction
2006 StandoutNobel
Vibronic States in Single Molecule Electron Transport
2004
Theoretical Studies of the Asymmetric Binary‐Acid‐Catalyzed tert‐Aminocyclization Reaction: Origins of the CH Activation and Stereoselectivity
2012
Modulating the Binding of Polycyclic Aromatic Hydrocarbons Inside a Hexacationic Cage by Anion–π Interactions
2014 StandoutNobel
Direct Observation of Hydrogen Molecules Adsorbed onto a Microporous Coordination Polymer
2004 StandoutNobel
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
2004 StandoutNobel
Mechanismen der molekularen Erkennung ‐ Untersuchungen an organischen Wirt‐Gast‐Komplexen
1991
Precise density-functional method for periodic structures
1991
A Nitro‐Modified Luminescent Hydrogen‐Bonded Organic Framework for Non‐Contact and High‐Contrast Sensing of Aromatic Amines
2023 StandoutNobel
CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
2005
Tunneling rates in electron transport through double-barrier molecular junctions in a scanning tunneling microscope
2005
Mechanisms of Molecular Recognition : Investigations of Organic Host–Guest Complexes
1991
Electronic decoupling of a cyclophane from a metal surface
2010 StandoutNobel
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
Calculated electron distribution for tetrafluoroterephthalonitrile (TFT)
1986
Structure and Nanostructure in Ionic Liquids
2015 Standout
Supramolecular Polymerization
2009 Standout
Unexpected Roles of Guest Polarizability and Maximum Hardness, and of Host Solvation in Supramolecular Inclusion Complexes: A Dual Theoretical and Experimental Study
1996
A fast and Space-efficient boundary element method for computing electrostatic and hydration effects in large molecules
1996
Cooperative light-induced molecular movements of highly ordered azobenzene self-assembled monolayers
2007 StandoutNobel
Self-Assembled Monolayers of Thiolates on Metals as a Form of Nanotechnology
2005 Standout
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
2000
Crystalline cellulose Iα and Iβ studied by molecular dynamics simulation
1995
Mechanisms of Tetrazole Formation by Addition of Azide to Nitriles
2002 StandoutNobel
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
Stable Carbenes
1999 Standout
Separation of the energetic and geometric contributions to the aromaticity. Part IV. A general model for the π-electron systems
1996
Direct Capture of CO2 from Ambient Air
2016 Standout
Atomistic Calculations of Phonon Frequencies and Thermodynamic Quantities for Crystals of Rigid Organic Molecules
2003
ENIGMA: maximum-entropy method program package for huge systems
2002
X-Ray Evidence for Bonding Electrons in Diborane
1969 StandoutNobel
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Kohn—Sham density-functional theory within a finite basis set
1992 StandoutNobel
Conceptual Density Functional Theory
2003 Standout
Carrier-Based Ion-Selective Electrodes and Bulk Optodes. 1. General Characteristics
1997 Standout
The crystal structure of cycloinulohexaose produced from inulin by cycloinulo-oligosaccharide fructanotransferase
1991
Calculation of the reaction field due to off-center point multipoles
1997
Selective Activation of Enantiotopic C(sp3)−Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives
2011
Synthetic Cyclic Oligosaccharides
1998 StandoutNobel
Charge density studies utilizing powder diffraction and MEM. Exploring of high Tc superconductors, C60 superconductors and manganites
2001
β-Peptides: From Structure to Function
2001 Standout
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
Crystallization of Amino Acids on Self-Assembled Monolayers of Rigid Thiols on Gold
2002
Cation-π Interactions in Chemistry and Biology: A New View of Benzene, Phe, Tyr, and Trp
1996 StandoutScience
Why Is Tetrazole Formation by Addition of Azide to Organic Nitriles Catalyzed by Zinc(II) Salts?
2003 StandoutNobel
Intermolecular Bonding Features in Solid Iodine
2014
Solvation of chromone using combined Discrete/SCRF models
1998
Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method
1997
Facile Synthesis of Silver(I)−Carbene Complexes. Useful Carbene Transfer Agents
1998 Standout
The performance of a family of density functional methods
1993 StandoutNobel
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
1992 Standout
Competition as a Design Concept: Polymorphism in Self-Assembled Monolayers of Biphenyl-Based Thiols
2006
Dynamic Properties of the Guest Molecules in the Pyrazine/α-Zirconium Phosphate Intercalation Compound: a Multinuclear Solid-State NMR Study
2002
Spin-Transfer Pathways in Paramagnetic Lithium Transition-Metal Phosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopy and DFT Calculations
2012 StandoutNobel
Ruthenium-Based Heterocyclic Carbene-Coordinated Olefin Metathesis Catalysts
2009 StandoutNobel
The Halogen Bond
2016 Standout
Charge Transport in Organic Semiconductors
2007 Standout
Complete Field Guide to Asymmetric BINOL-Phosphate Derived Brønsted Acid and Metal Catalysis: History and Classification by Mode of Activation; Brønsted Acidity, Hydrogen Bonding, Ion Pairing, and Metal Phosphates
2014 Standout
Semiclassical-Continuum Approach to the Electrostatic Free Energy of Solvation
1997
The influence of self-consistency on nonlocal density functional calculations
1991
Molecular dynamics simulations of aqueous urea solutions: Study of dimer stability and solution structure, and calculation of the total nitrogen radial distribution function GN(r)
1993
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Molecular Mechanics Parameters and Conformational Free Energies of Proline-Containing Peptides
1996
Quantum Mechanical Continuum Solvation Models
2005 Standout
Direct Space Representation of the Metallic Bond
2000
Design and control of gas diffusion process in a nanoporous soft crystal
2019 StandoutScienceNobel
Polymers for gas separations: the next decade
1994 Standout
A comparison of the structure and dynamics of liquid water at hydrophobic and hydrophilic surfaces—a molecular dynamics simulation study
1994
An all-electron numerical method for solving the local density functional for polyatomic molecules
1990 Standout
Polymeric CO2/N2 gas separation membranes for the capture of carbon dioxide from power plant flue gases
2006
Electron correlation effects on Fukui functions
1996
From molecules to solids with the DMol3 approach
2000 Standout
Mechanism of Supramolecular Polymerizations
2003
Formation of a One-Dimensional Array of Oxygen in a Microporous Metal-Organic Solid
2002 StandoutScienceNobel
Works of D. Feil being referenced
Basis set effects on the electron density and spectroscopic properties of CO
1985
From wave function to crystal morphology: application to urea and alpha-glycine
1991
The structure of NH4F as determined by neutron and X-ray diffraction
1969
Resonance Raman spectra of phthalocyanine monolayers on different supports. A normal mode analysis of zinc phthalocyanine by means of the MNDO method
1995
Electron density distributions in hydrogen bonds: A local density-functional study of α-oxalic acid dihydrate and comparison with experiment
1988
Potential of mean force by thermodynamic integration: Molecular-dynamics simulation of decomplexation
1989
Polarization of the water molecule. Analysis of the changes in the electron density distribution
1987
The electron density of α-oxalic acid dihydrate at 100 K by X-ray diffraction: a contribution to the IUCr Commission on Charge, Spin and Momentum Densities project on the accurate determination of electron densities
1983
Crystal structure and charge distribution of pyrazine: effects of extinction, thermal diffuse scattering and series termination
1976
Molecular dynamics of 18-crown-6 complexes with alkali-metal cations: calculation of relative free energies of complexation
1988
The tertiary amino effect in heterocyclic synthesis : mechanistic and computational study of the formation of six-membered rings
1988
Molecular-dynamics simulations of interfaces between water and crystalline urea
1992
Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results
1999
Effect of electron correlation on the electron density distribution and (hyper)polarizability of molecules
1992
Novel treatment of the experimental data in the application of the maximum-entropy method to the determination of the electron-density distribution from X-ray experiments
1994
Extracting charge density distributions from diffraction data: a model study on urea
2000
A molecular mechanics study of 18-crown-6 and its complexes with neutral organic molecules
1987
Accuracy of various approximations to exchange and correlation for the electron density distribution in atoms and small molecules
1988
An application of the Miertus‐Scrocco‐Tomasi solvation model in molecular mechanics and dynamics simulations
1995
Uncoupled Hartree–Fock calculations of the polarizability and hyperpolarizabilities of nitrophenols
1995
Critical Analysis of Non-Nuclear Electron-Density Maxima and the Maximum Entropy Method
1996
Electrostatic interactions in host‐guest complexes 2
1991
Modelling of the diffusion of carbon dioxide in polyimide matrices by computer simulation
1992
Molecular charge distribution of CO
1975