Citation Impact
Citing Papers
The calculations of excited-state properties with Time-Dependent Density Functional Theory
2012 Standout
Active control of electromagnetically induced transparency analogue in terahertz metamaterials
2012 Standout
Ene‐ene‐yne Reactions: Activation Strain Analysis and the Role of Aromaticity
2014
One Century of Aryne Chemistry
2003 Standout
Conformationally Controlled Electron Delocalization in n‐Type Rods: Synthesis, Structure, and Optical, Electrochemical, and Spectroelectrochemical Properties of Dicyanocyclophanes
2011 StandoutNobel
Photoisomerization in different classes of azobenzene
2011 Standout
Intramolecular effects in the cycloaddition of three ethylenes vs. the Diels–Alder reaction
1992
Femtosecond dynamics of retro Diels–Alder reactions: the concept of concertedness
1999 StandoutNobel
Ab initio molecular orbital study of the mechanism of photodissociation of trans-azomethane
1996
Size dependence of triplet and singlet states of α-oligothiophenes
1999
Performance of the Density Functional Theory/Multireference Configuration Interaction Method on Electronic Excitation of Extended π-Systems
2008
The multiphoton ionization spectrum of t r a n s-1,3-butadiene
1976
Vibrational analysis of polyacetylene and copoly(acetylene+acetylene-d2): In-plane vibrations of t r a n s-polyene chains
1986 StandoutNobel
The ORCA quantum chemistry program package
2020 Standout
Femtosecond Dynamics of Transition States and the Concept of Concertedness: Nitrogen Extrusion of Azomethane Reactions
1998 StandoutNobel
Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model
2017 Standout
30.4-nm He(II) photoelectron spectra of organic molecules
1980
The ORCA program system
2011 Standout
Proximitätseffekte in der Organischen Chemie — Die photoelektronenspektroskopische Untersuchung nichtbindender und transanularer Wechselwirkungen
1983
Multiphoton ionization detected by fourier-transform mass spectrometry
1982 StandoutNobel
Density functional calculations with configuration interaction for the excited states of molecules
1996
Excitation Energies from Time-Dependent Density Functional Theory for Linear Polyene Oligomers: Butadiene to Decapentaene
2000
A Time-Dependent DFT Study on Band Gaps and Effective Conjugation Lengths of Polyacetylene, Polyphenylene, Polypentafulvene, Polycyclopentadiene, Polypyrrole, Polyfuran, Polysilole, Polyphosphole, and Polythiophene
2001
Vertical spectrum of ethene: uncontracted versus contracted correlation methods and the role of the adapted molecular orbitals
1998
Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer
2018 Standout
Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes
2004 Standout
Electronic structure of polyenes and polyacetylene
1978 StandoutNobel
Theoretical study of the low-lying excited singlet states of furan
2003
The molecular geometry of gas-phase metal halides
1988
Challenges for Density Functional Theory
2011 Standout
General atomic and molecular electronic structure system
1993 Standout
Efficient multiphoton ionization of jet-cooled aniline
1980 StandoutNobel
New vibronic bands of CH2 observed in a pulsed supersonic jet
1980 StandoutNobel
The density-matrix renormalization group
2005 Standout
Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of NCNO into NC and NO
1988 StandoutNobel
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
Absolute photoabsorption oscillator strengths by electron energy loss methods: the valence and S 2p and 2s inner shells of sulphur dioxide in the discrete and continuum regions (3.5–260 eV)
1999
Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of CH2CO into CH2 and CO
1989 StandoutNobel
The role of solitons in the first Bu excited state of polyene chains: From short polyenes to polyacetylene
1989 StandoutNobel
Low-Energy Electron Damage to Condensed-Phase Deoxyribose Analogues Investigated by Electron Stimulated Desorption of H- and Electron Energy Loss Spectroscopy
1999
Excited States of Butadiene to Chemical Accuracy: Reconciling Theory and Experiment
2012
Second‐order intermediate Hamiltonian method: Pilot applications to vertical excitations in π‐electron systems
1995
Design of low band gap polymers employing density functional theory?hybrid functionals ameliorate band gap problem
1997
Introduction of n-electron valence states for multireference perturbation theory
2001 Standout
The graphical unitary group approach to the electron correlation problem. Methods and preliminary applications
1979
Enhanced Conjugation in 1,4-Digermabutadiene
1997
Correlation effects in the spectra of polyenes
1976
Carrier lifetime versus ion-implantation dose in silicon on sapphire
1987
Multiphoton Absorbing Materials: Molecular Designs, Characterizations, and Applications
2008 Standout
A b i n i t i o studies of the low-lying electronic states of ketene
1986
Dual Catalysis Strategies in Photochemical Synthesis
2016 Standout
Theoretical study of the ethylene electronic spectrum and extraction of an r-dependent Hubbard Hamiltonian
1996
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Dissociation of cyclohexene and 1,4-cyclohexadiene in a molecular beam
1989 Nobel
Property-optimized Gaussian basis sets for molecular response calculations
2010 Standout
Resonant Formation of DNA Strand Breaks by Low-Energy (3 to 20 eV) Electrons
2000 StandoutScience
Coupled-cluster theory in quantum chemistry
2007 Standout
Structural Dynamics of Overcrowded Alkene-Based Molecular Motors during Thermal Isomerization
2014 StandoutNobel
Electron Transfer Photochemistry of Geraniol and (E,E)-Farnesol. A Novel “Tandem”, 1,5-Cyclization, Intramolecular Capture
1996
Driving Unidirectional Molecular Rotary Motors with Visible Light by Intra- And Intermolecular Energy Transfer from Palladium Porphyrin
2012 StandoutNobel
π-Bonding and the Lone Pair Effect in Multiple Bonds between Heavier Main Group Elements
1999 Standout
The Rydberg states of trans-butadiene from generalized valence bond and configuration interaction calculations
1980
Double-hybrid density functional theory for excited electronic states of molecules
2007
A b i n i t i o study of the π-electron states of t r a n s-butadiene
1975
Electron-Lattice Relaxation, and Soliton Structures and Their Interactions in Polyenes
1999
Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene
1993
Diphenylbutadiene in supersonic jets: Spectroscopy and picosecond dynamics
1983 StandoutNobel
Valence and core-shakeup photoelectron spectra of solid polyacetylene and related free model molecules
1992 StandoutNobel
Coupled-cluster method for open-shell singlet states
1992
Size, Dimensionality, and Strong Electron Correlation in Nanoscience
2014 StandoutNobel
Photodynamics of polyenes: The effect of electron correlation on potential surfaces
1980
Quantum Mechanical Continuum Solvation Models
2005 Standout
Methylene singlet–triplet energy splitting by molecular beam photodissociation of ketene
1982 StandoutNobel
Proximity Effects in Organic Chemistry—The Photoelectron Spectroscopic Investigation of Non‐Bonding and Transannular Interactions
1983
Electronic structure of polypyrrole and oligomers of pyrrole
1982
The photoelectron spectra of diazene, diazene-d2, and t r a n s-methyldiazene
1976
CEO/semiempirical calculations of UV–visible spectra in conjugated molecules
2000
A theoretical investigation of valence and Rydberg electronic states of acrolein
2003
The threshold for photodissociation of ketene into CH2(1A1) and the CH2(1A1—3B1) energy separation
1978
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
1998 Standout
The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
1993 Standout
ArF excimer laser multiphoton-ionization mass spectrometry of organic molecules
1980
Excitation energies in density functional theory: An evaluation and a diagnostic test
2008
Singlet Fission
2010 Standout
The energy of N2H2 and related compounds
1991 StandoutNobel
Optical properties of polyaniline
1993 StandoutNobel
Coupled-cluster calculations of the excitation energies of ethylene, butadiene, and cyclopentadiene
1996
A Benchmark of Excitonic Couplings Derived from Atomic Transition Charges
2013
Subpicosecond carrier lifetime in GaAs grown by molecular beam epitaxy at low temperatures
1991 StandoutNobel
Graphitic carbon nitride materials: variation of structure and morphology and their use as metal-free catalysts
2008 Standout
Analysis and prediction of absorption band shapes, fluorescence band shapes, resonance Raman intensities, and excitation profiles using the time-dependent theory of electronic spectroscopy
2007
Two-photon spectroscopy of dipole-forbidden transitions
1979
Efficient and automatic calculation of optical band shapes and resonance Raman spectra for larger molecules within the independent mode displaced harmonic oscillator model
2012
Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design
2016 Standout
The symmetry of the 6.2 eV two-photon Rydberg state in hexatriene from the polarization properties of the multiphoton ionization spectrum
1978
INDO-SCF and CI calculations on the trans-cis isomerization of azomethane in the ground state and in excited states
1978
Organophosphorus π-Conjugated Materials
2006 Standout
Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
2005 Standout
Natural transition orbitals
2003 Standout
Works of Wayne M. Flicker being referenced
Electron-impact excitation of low-lying electronic states in CS2, OCS, and SO2
1978
Variable angle electron-impact excitation of nitromethane
1980
Electronic spectroscopy of polyatomic molecules by low-energy, variable-angle electron impact
1979
Excited electronic states of cyclohexene, 1,4-cyclohexadiene, norbornene, and norbornadiene as studied by electron-impact spectroscopy
1979
Triplet states of furan, thiophene, and pyrrole
1976
Singlet → triplet transitions in methyl-substituted ethylenes
1975
Low energy, variable angle electron-impact excitation of 1,3,5-hexatriene
1977
Electron impact spectroscopy of trans-azomethane
1974
Electronic spectroscopy of t r a n s-azomethane by electron impact
1975
Electronic spectroscopy of s-trans 1,3-butadiene by electron impact
1973
Electron impact investigation of electronic excitations in furan, thiophene, and pyrrole
1976
Investigation of low-lying electronic states in nitromethane by electron-impact spectroscopy
1979
Excited electronic states of ketene
1976
Triplet states in 1,3-butadiene
1973
Electronic spectroscopy of 1,3-cyclopentadiene, 1,3-cyclohexadiene and 1,3-cycloheptadiene by electron impact
1979
Electron-impact investigation of excited singlet states in 1,3-butadiene
1978