Citation Impact
Citing Papers
Efficient production of [ n ]rotaxanes by using template-directed clipping reactions
2007 StandoutNobel
Synthesis of Highly Distorted π‐Extended [2.2]Metacyclophanes by Intermolecular Double Oxidative Coupling
2013
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
Dynamic personalities of proteins
2007 StandoutNature
DNA-based asymmetric catalysis
2010 StandoutNobel
Highly enantioselective DNA-based catalysis
2006 StandoutNobel
Charge and Spin Transport in an Organic Molecular Square
2015 StandoutNobel
Highly efficient organic light-emitting diodes from delayed fluorescence
2012 StandoutNature
The path to ubiquitous and low-cost organic electronic appliances on plastic
2004 StandoutNature
Palladium‐Catalyzed anti‐Markovnikov Oxidation of Terminal Alkenes
2014 StandoutNobel
Enzymatic functionalization of carbon–hydrogen bonds
2010 StandoutNobel
Enantioselective Friedel–Crafts Reactions in Water Using a DNA‐Based Catalyst
2009 StandoutNobel
Chiral Borromeates
2006 StandoutNobel
DNA‐Based Catalytic Enantioselective Michael Reactions in Water
2007 StandoutNobel
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
2004 StandoutNobel
A Bond Path: A Universal Indicator of Bonded Interactions
1998 Standout
The He–OCS van der Waals potential from model calculations: Bound states, stable structures, and vibrational couplings
2000
Annulenes, 1980–2000
2002
Electronic decoupling of a cyclophane from a metal surface
2010 StandoutNobel
Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures
2003 Standout
Regiochemistry of Wacker-type oxidation of vinyl group in the presence of neighboring oxygen functions. Part 2
1997
The ORCA quantum chemistry program package
2020 Standout
Synthesis and Characterization of Tetrachlorodiarylethyne-Linked Porphyrin Dimers. Effects of Linker Architecture on Intradimer Electronic Communication
1998
A Theoretical and Experimental Scale of Aromaticity. The First Nucleus-Independent Chemical Shifts (NICS) Study of the Dimethyldihydropyrene Nucleus
2002
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems
2000
On the Mechanism of Hydrolysis of Phosphate Monoesters Dianions in Solutions and Proteins
2006 StandoutNobel
Mechanisms of Tetrazole Formation by Addition of Azide to Nitriles
2002 StandoutNobel
Excited States of Large Open-Shell Molecules: An Efficient, General, and Spin-Adapted Approach Based on a Restricted Open-Shell Ground State Wave function
2013
Theoretical Study of Ligand Superhyperfine Structure. Application to Cu(II) Complexes
2001
Hydrogen chemisorption on transition metal clusters
1985 StandoutNobel
Soluble Synthetic Multiporphyrin Arrays. 3. Static Spectroscopic and Electrochemical Probes of Electronic Communication
1996
Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix
2006 StandoutNobel
The bond length and electronic structure of V2
1984 StandoutNobel
Electronic structure and vibrational frequency of Cr2
1983
General atomic and molecular electronic structure system
1993 Standout
Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations
2008 StandoutNobel
Detailed Spectroscopic and Theoretical Studies on [Fe(EDTA)(O2)]3-: Electronic Structure of the Side-on Ferric−Peroxide Bond and Its Relevance to Reactivity
1998
The structure of the chromophore within DsRed, a red fluorescent protein from coral
2000 StandoutNobel
Controlling the Electronic Properties of Polythiophene through the Insertion of Nonaromatic Thienyl S,S-dioxide Units
1999
The A←X transition in Cr2: Predissociation, isotope effects, and the 1–1 sequence band
1983
Surface reactions of metal clusters. II. Reactivity surveys with D2, N2, and CO
1985 StandoutNobel
Ozone Destruction by Chlorine: The Impracticality of Mitigation Through Ion Chemistry
1995 StandoutScienceNobel
Why Is Tetrazole Formation by Addition of Azide to Organic Nitriles Catalyzed by Zinc(II) Salts?
2003 StandoutNobel
Femtosecond Dynamics and Electrocatalysis of the Reduction of O2: Tetraruthenated Cobalt Porphyrins
1998 StandoutNobel
Enzymatic construction of highly strained carbocycles
2018 StandoutScienceNobel
Advances in Non-Metallocene Olefin Polymerization Catalysis
2002 Standout
Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method
2007 StandoutNobel
Ultrathin Organic Films Grown by Organic Molecular Beam Deposition and Related Techniques
1997 Standout
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Three-Membered-Ring-Based Molecular Architectures
2006
Theoretical Study on Bis(imino)pyridyl−Fe(II) Olefin Poly- and Oligomerization Catalysts. Dominance of Different Spin States in Propagation and β-Hydride Transfer Pathways
2001
Excited State Dynamics of a Julolidino Analogue of Crystal Violet: A Relaxation Path through a Conical Intersection?
1999
Myoglobin: The hydrogen atom of biology and a paradigm of complexity
2003
Synthesis, Characterization, Optical Spectroscopic, Electronic Structure, and Second-Order Nonlinear Optical (NLO) Properties of a Novel Class of Donor−Acceptor Bis(salicylaldiminato)nickel(II) Schiff Base NLO Chromophores
1997 Standout
DNA-Based Asymmetric Catalysis: Sequence-Dependent Rate Acceleration and Enantioselectivity
2008 StandoutNobel
Effects of Orbital Ordering on Electronic Communication in Multiporphyrin Arrays
1997
Cyanines during the 1990s: A Review
2000
Electronic Structure of Activated Bleomycin: Oxygen Intermediates in Heme versus Non-Heme Iron
2000
Synthesis of Highly Distorted π‐Extended [2.2]Metacyclophanes by Intermolecular Double Oxidative Coupling
2013
Calculation of Zero-Field Splittings, g-Values, and the Relativistic Nephelauxetic Effect in Transition Metal Complexes. Application to High-Spin Ferric Complexes
1998
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
A Theoretical Model for the Active Site of Nitrogenase
1996
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
The role of internal twisting in the photophysics of stilbazolium dyes
2001
Mechanistic Studies on Synthetic Fe−S-Based Clusters and Their Relevance to the Action of Nitrogenases
2005 StandoutNobel
Design and control of gas diffusion process in a nanoporous soft crystal
2019 StandoutScienceNobel
Narrow-Band Absorption-Enhanced Quantum Dot/J-Aggregate Conjugates
2009 StandoutNobel
Revealing Noncovalent Interactions
2010 Standout
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Metal–Organic Frameworks and Self-Assembled Supramolecular Coordination Complexes: Comparing and Contrasting the Design, Synthesis, and Functionality of Metal–Organic Materials
2012 Standout
Switching “On” and “Off” the Expression of Chirality in Peptide Rotaxanes
2002
Vibrational spectroscopy of NO+(H2O)n: Evidence for the intracluster reaction NO+(H2O)n→H3O+(H2O)n−2 (HONO) at n ≥ 4
1994
The Nature of the Long Bond in 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[b]naphthene
1998 StandoutNobel
The Substrate-Assisted General Base Catalysis Model for Phosphate Monoester Hydrolysis: Evaluation Using Reactivity Comparisons
2000
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
2009 Standout
Three-Dimensional Through-Space/Through-Bond Delocalization in Cyclophane Systems: A Molecule-in-Molecule Approach
2008
Role of the Heme Active Site and Protein Environment in Structure, Spectra, and Function of the Cytochrome P450s
2000
Semiconductor cluster beams: One and two color ionization studies of Six and Gex
1985 StandoutNobel
The Electronic Structure of CuA: A Novel Mixed-Valence Dinuclear Copper Electron-Transfer Center
1996
Synthesis of Conjugated Polymers for Organic Solar Cell Applications
2009 Standout
Natural transition orbitals
2003 Standout
Works of W. Daniel Edwards being referenced
Molecular basis for bleomycin amplification: conformational and stereoelectronic effects in unfused amplifiers
1988
A theoretical study of the electronic structure and spectra of metalloporphine cations
1985
A generalized restricted open-shell Fock operator
1987
On the basis set dependence of reported limitations in predictions from electrostatic potentials
1978
A study of the weak interaction in SCO/He and SCO/N2 systems
1993
Calculated spectra of hydrated ions of the first transition-metal series
1986
Weak bonds in the topological theory of atoms in molecules
1991
Theoretical study of the chromium-chromium quadruple bond
1982
Symmetry-breaking solvent effects on the electronic structure and spectra of a series of triphenylmethane dyes
1992
On the low-lying states and electronic spectroscopy of iron(II) porphine
1986
Electronic structure of model chlorophyll systems
1983
Theoretical Study of Solvent Effects on the Intramolecular Charge Transfer of a Hemicyanine Dye
1998
A DFT Study of the Thermal, Orbital Symmetry Forbidden, Cyclophanediene to Dihydropyrene Electrocyclic Reaction. Predictions to Improve the Dimethyldihydropyrene Photoswitches
2005
Theoretical Study and X-ray Structure Determination of Dimethyldihydropyrene
1998
Experimental and Theoretical Study of Stabilization of Delocalized Forms of Semibullvalenes and Barbaralanes by Dipolar and Polarizable Solvents. Observation of a Delocalized Structure that Is Lower in Free Energy than the Localized Form
2005
Electronic structure and spectra of various spin states of (porphinato)iron(III) chloride
1988