Standout Papers
Citation Impact
Citing Papers
Single-crystal x-ray diffraction structures of covalent organic frameworks
2018 StandoutScienceNobel
Carbon dioxide capture from open air using covalent organic frameworks
2024 StandoutNatureNobel
DNA in a material world
2003 StandoutNature
Reticular synthesis and the design of new materials
2003 StandoutNatureNobel
Evidence for the Existence of a Terminal Imidoscandium Compound: Intermolecular CH Activation and Complexation Reactions with the Transient ScNAr Species
2008
Computer simulation of the initial proton transfer step in human carbonic anhydrase I
1992 StandoutNobel
Molybdenum and Tungsten Imido Alkylidene Complexes as Efficient Olefin‐Metathesis Catalysts
2003 StandoutNobel
The coming of age of de novo protein design
2016 StandoutNatureNobel
CH Bond Functionalization through Intramolecular Hydride Transfer
2014
The Progression of Synthetic Strategies to Assemble Titanium Complexes Bearing the Terminal Imide Group
2007
Intramolecular C–H bond activation induced by a scandium terminal imido complex
2012
Synthesis of Fischer Carbene Complexes of Iridium by C−H Bond Activation of Methyl and Cyclic Ethers: Evidence for Reversible α-Hydrogen Migration
1996
Weaving of organic threads into a crystalline covalent organic framework
2016 StandoutScienceNobel
3d Transition Metals for C–H Activation
2018 Standout
Self-consistent-field wavefunctions for complex molecules. The approximation of partial retention of diatomic differential overlap
1973 StandoutNobel
Description of diatomic molecules using one electron configuration energies with two-body interactions
1974 StandoutNobel
Symmetry rules for chemical reactions
1971
Nachweis der Carben‐Olefin‐Intermediate in Metathese‐Katalysatoren mit Wolfram in hoher Oxidationsstufe
1992
Molecular Orbitals for Large Molecules. V. Parameterization from SCF Matrices of Related Small Molecules
1968 StandoutNobel
Elektronenstruktur von μ-Methylen-Übergangsmetallkomplexen
1979
Identification of the "Active Sites" of a Surface-Catalyzed Reaction
1996 StandoutScienceNobel
Extended Hückel Theory. II. σ Orbitals in the Azines
1964 StandoutNobel
Intermolecular C–H activation by reactive titanocene alkylidene intermediates
1995
Framework Rearrangement in Boranes and Carboranes
1966 StandoutScienceNobel
Polymer Synthesis and Organotransition Metal Chemistry
1989 StandoutScienceNobel
The stabilization of centers with six valence electrons through electron-high three-center bonding
1968 StandoutNobel
Molecular orbital studies of dissociative chemisorption of first period diatomic molecules and ethylene on (100) W and Ni surfaces
1974 StandoutNobel
The [2+2] Addition of Ethylene to Metal−Ligand Multiple Bonds: A Density Functional Study of Mo(E)OCl2
1998
CH and CC Bond Activation by Bare Transition‐Metal Oxide Cations in the Gas Phase
1995
Transition Structures of Hydrocarbon Pericyclic Reactions
1992 Standout
Semi-empirical all valence electrons SCF-MO-CNDO theory
1968
TiCl4-Catalyzed Intermolecular Hydroamination Reactions of Norbornene
2004
Semi-Empirical SCF MO Method for Systems Including All Valence Electrons
1970
Catalysis by Heteropoly Acids and Multicomponent Polyoxometalates in Liquid-Phase Reactions
1998 Standout
Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap
1965 StandoutNobel
Theoretical Study of the Potential Surface for the H4 System by Double-Zeta Configuration-Interaction Calculations
1969
Polycatenation, polythreading and polyknotting in coordination network chemistry
2003 Standout
Reactions of CH bonds in organica oxygenates with octaethylporphyrinato rhodium(II) and iridium(II) dimers
1995
Ungesättigte Organometall-Zwischenstufen: Elektronenstruktur und Strukturdynamik von (η5-C5H5)-Mn(CO)2
1977
Extended Hückel Theory. III. Compounds of Boron and Nitrogen
1964 StandoutNobel
Die Stereochemie sigmatroper 1.5‐Wasserstoffverschiebungen
1970
The Organocatalytic Approach to Enantiopure 2H‐ and 3H‐Pyrroles: Inhibitors of the Hedgehog Signaling Pathway
2016 StandoutNobel
Stable Carbenes
1999 Standout
Configuration Interaction in the Simple Nonionic Valence-Bond Wavefunction for the H2I2 Reaction Complex
1969
The atom, the molecule, and the covalent organic framework
2017 StandoutScienceNobel
Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments
1967 StandoutNobel
Die Erhaltung der Orbitalsymmetrie
1969 StandoutNobel
Activation of alkanes by transition metal complexes
1978
Comparative bonding study of conical fragments
1976 StandoutNobel
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
1972 StandoutNobel
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
General atomic and molecular electronic structure system
1993 Standout
Apparent 1,2-Silyl Migrations in Aromatic Carbenes Occur by Intermolecular Silyl Exchanges
1998
Molecular orbital investigation of chemisorption. I. Hydrogen on tungsten (100) surface
1973
Orbital Symmetry Control of Chemical Reactions
1970 StandoutScienceNobel
Molecular orbital methods in organic chemistry
1970 StandoutNobel
The Conservation of Orbital Symmetry
1969 StandoutNobel
Carbon-hydrogen bond activation in early transition metal systems
1985
Theoretical approaches to the description of the electronic structure and chemical reactivity of transition metal compounds
1991
Interaction of a methyl group with a triple bond. Molecular self-consistent field calculation on methylacetylene
1967 StandoutNobel
Control of Kinetics and Thermodynamics of [1,5]-Shifts by Aromaticity: A View through the Prism of Marcus Theory
2003
The stereochemistry of sigmatropic rearrangements. Tests of the predictive power of orbital symmetry rules
1968
Topological Ideas in Stereochemistry
1973
Self-Consistent Molecular-Orbital Methods. III. Comparison of Gaussian Expansion and PDDO Methods Using Minimal STO Basis Sets
1969 StandoutNobel
Evaluation of Enantiomerically Pure Binaphthol-Based Molybdenum Catalysts for Asymmetric Olefin Metathesis Reactions that Contain 3,3‘-Diphenyl- or 3,3‘-Dimesityl-Substituted Binaphtholate Ligands. Generation and Decomposition of Unsubstituted Molybdacyclobutane Complexes
2001 StandoutNobel
Orbital-Symmetry Rules for Chemisorption and Catalysis
1972
Density Functional Calculations for Atoms, Molecules and Clusters
1980
Detection of the Tungsten–Carbene–Olefin Intermediates in Catalytic Metathesis Systems Containing High‐Valent Metal Centers
1992
Distribution of Electronic Levels in Alkanes
1964 StandoutNobel
Altering the Allowed/Forbidden Gap in Cyclobutene Electrocyclic Reactions: Experimental and Theoretical Evaluations of the Effect of Planarity Constraints
2003
Activation of saturated hydrocarbons by metal complexes in solution
1977
Transition metal pentacoordination
1975 StandoutNobel
Wasserstoffverschiebungen, IV. Kinetischer Isotopeneffekt der 1.5‐Wasserstoffverschiebung im cis‐Pentadien‐(1.3)
1966
Density-functional exchange-energy approximation with correct asymptotic behavior
1988 Standout
Molecular Borromean Rings
2004 StandoutScienceNobel
Reactions of monosubstituted alkanes with bare metal ions.
1993
Calculated properties of metal aggregates
1973
High-oxidation-state molybdenum and tungsten alkylidyne complexes
1986 StandoutNobel
Dioxygen Binding to Dinuclear Iron Centers on Methane Monooxygenase Models
1996 Nobel
Activation of C−H Bonds by Metal Complexes
1997 Standout
Extended hückel theory—v
1966 StandoutNobel
A chemical and theoretical way to look at bonding on surfaces
1988 Nobel
Theoretical Organometallic Chemistry
1981 StandoutScienceNobel
Mechanism of the Reaction H2+D2→2HD. A Simple Molecular Orbital Description
1970
Reactivity of a Terminal Ti(IV) Imido Complex toward Alkenes and Alkynes: Cycloaddition vs C−H Activation
1998
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
Configuration Interaction in the Simple Valence-Bond Wavefunction for the Potential-Energy Surfaces of Sigma-Bonded Four-Center Exchange-Reaction Complexes
1969
Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures
1965 StandoutNobel
Die He(I)‐Photoelektronenspektren von Tetracarbonyleisen(0)‐Komplexen mit Carbenen
1980
A Theoretical View on Co+-Mediated C−C and C−H Bond Activations in Ethane
1996
Crystal Engineering and Organometallic Architecture
1998
Activation of Carbon–Hydrogen Bonds via 1,2-RH-Addition/-Elimination to Early Transition Metal Imides
2018
Interaction of orbitals through space and through bonds
1971 StandoutNobel
Self-Consistent Molecular-Orbital Methods. II. Projection of Diatomic Differential Overlap (PDDO)
1969
New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity
2017
Molecular Conformation of Benzylideneanilines
1971
σ−π Energy Separation in Modern Electronic Theory for Ground States of Conjugated Systems
2001
An ab initio SCF/CI study on the role of C2v transition states in thermal and photochemical sigmatropic shifts
1986
Intermolecular Activation of C−X (X = H, O, F) Bonds by a Ti⋮CtBu Linkage
2007
CH Bond Addition to a VNR Bond: Hydrocarbon Activation by a Sterically Crowded Vanadium System
1993
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
1993 StandoutNobel
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Nanoporous, Interpenetrated Metal−Organic Diamondoid Networks
1999
Role of Frontier Orbitals in Chemical Reactions
1982 StandoutScienceNobel
Design and control of gas diffusion process in a nanoporous soft crystal
2019 StandoutScienceNobel
Cycloheptatriene and fulvene Cr(CO)3 complexes
1978 StandoutNobel
Extended Hückel Theory. IV. Carbonium Ions
1964 StandoutNobel
Relative Significance of Potential-Energy Surface, Orbital Correlation, and Momentum Conservation to the Hydrogen Iodide Reaction
1968
On Low-Barrier Hydrogen Bonds and Enzyme Catalysis
1995 StandoutScienceNobel
Molecular orbital description of catalysis by metal clusters
1973
Laser Flash Photolysis Studies: 1,2-Hydrogen Migration to a Carbene
1994
Molecular Schrödinger Equation. IX. Square and Rectangular States of H4 and the Molecular Ions H43+ and H42+
1969
A Crystalline Imine-Linked 3-D Porous Covalent Organic Framework
2009 StandoutNobel
Design of higher valency in covalent organic frameworks
2020 StandoutScienceNobel
Theoretical Studies on Alkene Addition to Molybdenum Alkylidenes
1997
Agostic interactions in organometallic compounds. A Cambridge Structural Database study
1996
1,2-CH Bond Activation of Pyridine across a Transient Titanium Alkylidene Radical and Re-Formation of the Ti═CHtBu Moiety
2017
Mechanism of the Hydrogen–Iodine Reaction at Low Temperature
1968
Experimental Proof of the Non-Least-Motion Cycloadditions of Dichlorocarbene to Alkenes: Kinetic Isotope Effects and Quantum Mechanical Transition States
1999
Limited Expansion of Diatomic Overlap (LEDO): A Near-Accurate Approximate Ab Initio LCAO MO Method. I. Theory and Preliminary Investigations
1971
Molecular orbital models for hydrogen adsorption on different sites of a nickel crystal
1972
Origins of the Exalted b2u Frequency in the First Excited State of Benzene
1996
Molecular Beam Kinetics: Four-Atom Collision Complexes in Exchange Reactions of CsCl with KCl and KI
1972 StandoutNobel
Organizing Principle of Complex Reactions and Theory of Coarctate Transition States
1994
Extended Hückel theory—vi
1966 StandoutNobel
Reactions of hydroperoxides with metallotetraphenylporphyrins in aqueous solutions
1991
Semiempirical VB Calculation of the (H2I2) Interaction Potential
1970
Works of Roald Hoffmann being referenced
DNA As Clay
1994
Alkyne scission on a trimetallic framework: experimental evidence and theoretical analysis
1984
Orbital Symmetries and Orientational Effects in a Sigmatropic Reaction
1965
Potential surface for the insertion of singlet methylene into a carbon-hydrogen bond
1971
Theoretical Aspects of a Novel Mode of Hydrogen-Hydrogen Bonding
1995
Symmetry requirements for the stabilization of one class of diradicals
1969
Transits across a cyclopentadienyl: organic and organometallic haptotropic shifts
1978
Steric attraction
1973
Cleaving carbon-carbon bonds in cyclopropenium ions
1980
Toward an Understanding of Nonclassical Carbonium Ions
1964
Selection Rules for Concerted Cycloaddition Reactions
1965
How Should Chemists Think?
1993
Unusual metal-carbon-hydrogen angles, carbon-hydrogen bond activation, and .alpha.-hydrogen abstraction in transition-metal carbene complexes
1980
Activation of a coordinated olefin toward nucleophilic attack
1980
Electronic origin of the thermochromic effect in 2,2',5,5'-tetramethylbistibole
1982
Possible Hard Materials Based on Interpenetrating Diamond-like Networks
1994
Electronic and steric factors determining the asymmetric epoxidation of allylic alcohols by titanium-tartrate complexes (the Sharpless epoxidation)
1987
Sequential Substitution Reactions on B10H10−2 and B12H12−2
1962 StandoutNobel
Some geometrical and electronic features of the intermediate stages of olefin metathesis
1981
Adsorption and reactions of cyclic sulfides on molybdenum(110)
1990
Symmetry, topology, and aromaticity
1971
Oxygen transfer to ethylene catalyzed by the silver(110) surface: possible adsorption sites for molecular and atomic oxygen and a model for the oxygen-transfer step
1990
Transition State for the Hydrogen–Iodine and the Hydrogen Exchange Reactions
1968
The electronic structure of methylenes
1968
The mode of action of carbonic anhydrase
1989
An Extended Hückel Theory. I. Hydrocarbons
1963 Standout
Tri-tert-butylsilyl)imido complexes of titanium: benzene carbon-hydrogen activation and structure of [(tert-Bu3SiNH)Ti]2(.mu.-NSi-tert-Bu3)2
1991
Selection Rules for Sigmatropic Reactions
1965