Citation Impact
Citing Papers
Single-molecule strong coupling at room temperature in plasmonic nanocavities
2016 StandoutNature
Single-crystal x-ray diffraction structures of covalent organic frameworks
2018 StandoutScienceNobel
Photo-driven molecular devices
2006 StandoutNobel
Reticular synthesis and the design of new materials
2003 StandoutNatureNobel
Unidirectional molecular motor on a gold surface
2005 StandoutNatureNobel
Energetics and Vibrational States for Hydrogen on Pt(111)
2002 StandoutNobel
Functional Porous Coordination Polymers
2004 StandoutNobel
A Reversible, Unidirectional Molecular Rotary Motor Driven by Chemical Energy
2005 StandoutScienceNobel
Rotational Reorganization of Doped Cholesteric Liquid Crystalline Films
2006 StandoutNobel
Reversible Three-State Switching of Luminescence: A New Twist to Electro- and Photochromic Behavior
2006 StandoutNobel
Generation of unknown crystal phases for aromatic hydrocarbons by packing energy calculations
1990
A quantum chemical approach to dielectric solvent effects in molecular liquids
1976
Identification of the "Active Sites" of a Surface-Catalyzed Reaction
1996 StandoutScienceNobel
Synthesis and Characterization of the Bis-Cyclometalating Ligand 3,3‘,5,5‘-Tetrakis[(dimethylamino)methyl]biphenyl and Its Use in the Preparation of Bimetallic M(II), M(IV) (M = Pt, Pd), and Mixed-Valence Pt(II)−Pt(IV) Complexesviaa Dilithio-Derivative. Crystal Structure of the Pd Dimer [ClPd{2,6-(Me2NCH2)2C6H2}]2
1998
The electronic structure and stability of CH+5 and CH−5
1970
Structure and barrier of internal rotation of biphenyl derivatives in the gaseous state
1985 Standout
Self-Assembled Monolayers of Thiolates on Metals as a Form of Nanotechnology
2005 Standout
Toward an Understanding of the High Enantioselectivity in the Osmium-Catalyzed Asymmetric Dihydroxylation. 4. Electronic Effects in Amine-Accelerated Osmylations
1997 StandoutNobel
Near hartree-fock energy and equilibrium geometry of CH+5
1970
Structure and growth of 4-methyl-4′-mercaptobiphenyl monolayers on Au(111): a surface diffraction study
2000
Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons
2014 StandoutNobel
Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
1984 Standout
One-Step Synthesis and Structure of an Oligo(spiro-orthocarbonate)
2002 StandoutNobel
Catalytic Enantioselective Conversion of Epoxides to Thiiranes
2016 StandoutNobel
Cu2(ATC)·6H2O: Design of Open Metal Sites in Porous Metal−Organic Crystals (ATC: 1,3,5,7-Adamantane Tetracarboxylate)
2000 StandoutNobel
Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments
1967 StandoutNobel
Molecular “Compasses” and “Gyroscopes.” III. Dynamics of a Phenylene Rotor and Clathrated Benzene in a Slipping-Gear Crystal Lattice
2002
Positive Cooperativity in the Template-Directed Synthesis of Monodisperse Macromolecules
2012 StandoutNobel
Adsorption of styrene on Ag(111)
2004
Crystal Engineering: From Molecule to Crystal
2013
Importance of Correlated Motions on the Low Barrier Rotational Potentials of Crystalline Molecular Gyroscopes
2007
Optimizing rotary processes in synthetic molecular motors
2009 StandoutNobel
Asymmetric Catalysis by Architectural and Functional Molecular Engineering: Practical Chemo- and Stereoselective Hydrogenation of Ketones
2001 StandoutNobel
Artificial Molecular Rotors
2005
Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces
2013
Interaction of a methyl group with a triple bond. Molecular self-consistent field calculation on methylacetylene
1967 StandoutNobel
Amphidynamic Character of Crystalline MOF-5: Rotational Dynamics of Terephthalate Phenylenes in a Free-Volume, Sterically Unhindered Environment
2008 StandoutNobel
A possible tetracoordinated three-center bound configuration of the methane radical cation, CH4±
1971 StandoutNobel
C−C Bond-Forming Click Synthesis of Rotaxanes Exploiting Nitrile N-Oxide
2010
Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations
2012 StandoutScience
Chemisorption geometry of hydrogen on Ni(111): Order and disorder
1979 StandoutNobel
The diradical mechanism for 1,3-dipolar cycloadditions and related thermal pericyclic reactions
1977
Quantum-mechanical calculations of solvation free energies. A combined ab initio pseudopotential free-energy perturbation approach
1992 StandoutNobel
Overlong CC Single Bonds
1997
Recent aspects of thiirane chemistry
1993
An MO-theoretical calculation of solvent effect upon the NH3 + HF = NH4F reaction
1973 StandoutNobel
Molecular Stirrers in Action
2014 StandoutNobel
A simple molecular orbital treatment of hyperconjugation
1959
Chemioselectivity in the catalytic hydrogenation of cinnamaldehyde. Effect of metal particle morphology
1990
Trapping a transition state in a computationally designed protein bottle
2015 StandoutScienceNobel
Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage
2002 StandoutScienceNobel
A chemical and theoretical way to look at bonding on surfaces
1988 Nobel
Theoretical Organometallic Chemistry
1981 StandoutScienceNobel
A homochiral metal–organic porous material for enantioselective separation and catalysis
2000 StandoutNature
Graphitic Carbon Nitride (g-C3N4)-Based Photocatalysts for Artificial Photosynthesis and Environmental Remediation: Are We a Step Closer To Achieving Sustainability?
2016 Standout
Crystal Engineering and Organometallic Architecture
1998
Molecular Conformation of Benzylideneanilines
1971
Two-dimensional ordering of the DNA base guanine observed by scanning tunneling microscopy.
1991 StandoutNobel
Structure and orientation of organic molecules on metal surfaces
1992
Fine Tuning of the Rotary Motion by Structural Modification in Light-Driven Unidirectional Molecular Motors
2006 StandoutNobel
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
1993 StandoutNobel
Efficient Templated Synthesis of Donor−Acceptor Rotaxanes Using Click Chemistry
2006 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Role of Frontier Orbitals in Chemical Reactions
1982 StandoutScienceNobel
On the ab initio evaluation of the solvent shift of electronic absorption spectra
1981
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Cycloheptatriene and fulvene Cr(CO)3 complexes
1978 StandoutNobel
Current Status of Transition-State Theory
1996 Standout
Retention and inversion in bimolecular substitution reactions of methane
1969
Structure and barrier of internal rotation of biphenyl derivatives in the gaseous state
1985
Control of Surface Wettability Using Tripodal Light-Activated Molecular Motors
2014 StandoutNobel
Palladium-Catalyzed Ligand-Directed C−H Functionalization Reactions
2010 Standout
A Switchable Molecular Rotator: Neutron Spectroscopy Study on a Polymeric Spin-Crossover Compound
2012 StandoutNobel
The Nature of the Long Bond in 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[b]naphthene
1998 StandoutNobel
The equilibrium geometry and electronic structure of the CH5 cation calculated with CNDO
1970
Frozen Density Functional Free Energy Simulations of Redox Proteins: Computational Studies of the Reduction Potential of Plastocyanin and Rusticyanin
2003 StandoutNobel
Redox Control of the Binding Modes of an Organic Receptor
2015 StandoutNobel
Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach
2015 StandoutNobel
Scanning Tunneling Microscopy Observations of Benzene Molecules on the Rh(111)-(3×3) (C6H6+2CO) Surface
1993
The electronic structure of the benzene molecule
1986 Nature
From Molecules to Crystal Engineering: Supramolecular Isomerism and Polymorphism in Network Solids
2001 Standout
Nanoporous Molecular Sandwiches: Pillared Two-Dimensional Hydrogen-Bonded Networks with Adjustable Porosity
1997 Science
Works of M. Simonetta being referenced
The structure of hydrogen adsorbed on Ni(111) at low temperature by leed intensity analysis
1979
The influence of solvation on the calculated activation energy for the reaction CH3F+F?
1972
Determination of crystal structure of metastable anthracene by a novel method
1980 Nature
Zur Kenntnis der Sesquiterpene und Azulene. 100. Mitteilung. Die basischen Eigenschaften der Azulene (Teil II)
1952
The influence of substituents on the equilibrium bisnorcaradiene–[10]annulene. The crystal and molecular structure of 11,11-dimethyltricyclo[4,4,1,01,6]undeca-2,4,7,9-tetraene
1973
Extended Huckel and empirical force field calculations for chemisorption on metal surfaces
1984
Kinetics and mechanism of 1,3-cycloaddition of a substituted benzonitrile oxide to a series of arylacetylenes
1967
Alternative Reaction Paths in the Additions of Nitrile Oxides and Acetylenes as Computed by the CNDO Method
1974
The structure of 1,6:8,13-butane-1,4-diylidene[14]annulene
1972
A study of ground and excited states of biphenyl by the “Molecules in Molecules” method
1972
Determination of the orientation of naphthalene molecules on Pt(111) by packing energy calculations
1982
Adsorption of hydrogen on Ni(111) at low temperature studied by LEED
1978
The crystal structure of the monoclinic phase of 2,2-di-tert-butyl-3,3-diphenylthiirane at –140°C
1976
Crystal chemistry in organic solids
1982
Benzene adsorption on the Rh(111) metal surface: A theoretical study
1986
The influence of substituents on the equilibrium bisnorcaradiene ⇄ [10]-annulene. The crystal and molecular structure of 11-methyltricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene-11-carbonitrile
1978
Molecular rearrangements in organic crystals. II. The role of intermolecular cooperation and dipole–dipole interactions
1976
An investigation of the geometry of the CH+5 ion by the CNDO method
1969
The crystal structure of p,p'-bitolyl
1969
The influence of solvation on ? *?n and ? *?? transition energies in molecules containing Aza or carbonyl groups
1973
Ab initio valence-bond calculations. 5. Benzene
1977
The molecular structure of biphenyl in the gas and solid phases
1968
On the generation of trial structures and the evaluation of the formation energy for layers of chemisorbed molecules on metal surfaces: Naphthalene and azulene on Rh(111)
1983