Standout Papers
Citation Impact
Citing Papers
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
Demonstration of fiber-laser-produced plasma source and application to efficient extreme UV light generation
2006 StandoutNobel
Attosecond real-time observation of electron tunnelling in atoms
2007 StandoutNatureNobel
An all atom force field for simulations of proteins and nucleic acids
1986 Standout
Attosecond Streak Camera
2002 StandoutNobel
Attosecond metrology
2001 StandoutNatureNobel
Scaling of Wave-Packet Dynamics in an Intense Midinfrared Field
2007 StandoutNobel
Attosecond control of electronic processes by intense light fields
2003 StandoutNatureNobel
Hydration and DNA Recognition by Homeodomains
1996 StandoutNobel
Electron localization following attosecond molecular photoionization
2010 StandoutNatureNobel
Tracing Ultrafast Interatomic Electronic Decay Processes in Real Time and Space
2007
Watching Dark Solitons Decay into Vortex Rings in a Bose-Einstein Condensate
2001 StandoutNobel
Measurement of the Phase of Few-Cycle Laser Pulses
2003 StandoutNobel
Photon emission by He+in intense ultrashort laser pulses
2000
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
1999 Standout
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
1996 Standout
Laser Femtochemistry
1988 StandoutScienceNobel
Theoretical Investigations of the Electronic and Nuclear Dynamics of Molecules in Intense Laser Fields: Quantum Mechanical Wave Packet Approaches
2006
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Scaling of keV HHG photon yield with drive wavelength
2005
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
1993 Standout
Prion protein NMR structure and familial human spongiform encephalopathies
1998 StandoutNobel
On the onset of chaotic motion in deterministic systems
1981 StandoutNobel
Quantum mechanical study of electronic and nuclear dynamics of molecules in intense laser fields
2004
Femtosecond chemical dynamics in solution. Wavepacket evolution and caging of I2
1992 StandoutNobel
Walking on potential energy surfaces
1983 StandoutNobel
Attosecond physics
2009 StandoutNobel
Hopping and the Stokes–Einstein relation breakdown in simple glass formers
2014 StandoutNobel
Nanotube Molecular Wires as Chemical Sensors
2000 StandoutScience
Attosecond Synchronization of High-Harmonic Soft X-rays
2003 StandoutScienceNobel
Apparent NAC Effect in Chorismate Mutase Reflects Electrostatic Transition State Stabilization
2003 StandoutNobel
Multielectron wave-packet propagation: General theory and application
2005
Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table
2001
Observing the ultrafast buildup of a Fano resonance in the time domain
2016 Science
Use of the discrete variable representation in the quantum dynamics by a wave packet propagation: Predissociation of NaI(1Σ+) →NaI(0+)→Na(2S)+I(2P)
1989
Traveling through potential energy landscapes of disordered materials: The activation-relaxation technique
1998
A new approach for determining low‐frequency normal modes in macromolecules
1994
Clocking transient chemical changes by ultrafast electron diffraction
1997 StandoutNatureNobel
Synthesized Light Transients
2011 StandoutScienceNobel
A method for determining reaction paths in large molecules: Application to myoglobin
1987
Dimensional study of the caging order parameter at the glass transition
2012 StandoutNobel
Connections between some kinetic and equilibrium theories of the glass transition
1987
The structure of ammonia overlayers physisorbed onto the surface of single crystal graphite, determined by means of atomic beam diffraction
1990
Femtosecond Activation of Reactions and the Concept of Nonergodic Molecules
1998 StandoutScienceNobel
Formation of Glasses from Liquids and Biopolymers
1995 StandoutScience
Electronic properties of CdSe nanocrystals in the absence and presence of a dielectric medium
1999 StandoutNobel
Extraction, through filter-diagonalization, of general quantum eigenvalues or classical normal mode frequencies from a small number of residues or a short-time segment of a signal. I. Theory and application to a quantum-dynamics model
1995
How Important Are Quantum Mechanical Nuclear Motions in Enzyme Catalysis?
1996 StandoutNobel
High-order harmonic production in multiphoton ionization
1989
Description of harmonic generation in terms of the complex quasienergy. I. General formulation
2007
Attosecond Control and Measurement: Lightwave Electronics
2007 StandoutScienceNobel
Quantum-Classical Molecular Dynamics Simulations of Proton Transfer Processes in Molecular Complexes and in Enzymes
1996
Dynamic reorganization of the functionally active ribosome explored by normal mode analysis and cryo-electron microscopy
2003 StandoutNobel
Dark-soliton states of Bose-Einstein condensates in anisotropic traps
2000
Monte Carlo simulations of proton pumps: On the working principles of the biological valve that controls proton pumping in cytochrome c oxidase
2006 StandoutNobel
An algorithm for the location of transition states
1986
Structures of Metal–Organic Frameworks with Rod Secondary Building Units
2016 StandoutNobel
Charge migration in different conformers of glycine: The role of nuclear geometry
2007
Theories of intramolecular vibrational energy transfer
1991
Random pinning glass model
2013 StandoutNobel
Transition-state optimization on free energy surface: Toward solution chemical reaction ergodography
1998
Molecular imaging using recolliding electrons
2007
Walking on potential energy surfaces
1990 StandoutNobel
Photofragmentation infrared emission studies of vibrationally excited free radicals CH3 and CH2I
1980
A novel discrete variable representation for quantum mechanical reactive scattering via the S-matrix Kohn method
1992 Standout
X-ray Pulses Approaching the Attosecond Frontier
2001 StandoutScienceNobel
Reaction path study of conformational transitions in flexible systems: Applications to peptides
1990
Encounter-limited rate-determining steps in carbonyl and acyl group reactions
1973
Origin of the Catalytic Power of Acetylcholinesterase: Computer Simulation Studies
1998 StandoutNobel
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
1993 StandoutNobel
Sulphur-methylene isosterism in the developent of metiamide, a new histamine H2-receptor antagonist
1974 StandoutNatureNobel
Photoionization in the time and frequency domain
2017 StandoutScienceNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Time-dependent theory of multiphoton ionization of xenon
1988
Rigorous formulation of quantum transition state theory and its dynamical corrections
1989
Configuration-interaction-based time-dependent orbital approach forab initiotreatment of electronic dynamics in a strong optical laser field
2006
The GAMESS-UK electronic structure package: algorithms, developments and applications
2005
The aperiodic crystal picture and free energy barriers in glasses
1987
Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes
2010
Structure comparison of human glioma pathogenesis-related protein GliPR and the plant pathogenesis-related protein P14a indicates a functional link between the human immune system and a plant defense system
1998 StandoutNobel
Finding saddle points for clusters
1989
Intense few-cycle laser fields: Frontiers of nonlinear optics
2000 StandoutNobel
Steering Attosecond Electron Wave Packets with Light
2002 StandoutScienceNobel
Method for Analyzing Structural Changes of Flexible Metal−Organic Frameworks Induced by Adsorbates
2009
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
2000 Standout
Terawatt to Petawatt Subpicosecond Lasers
1994 StandoutScienceNobel
Works of C. Cerjan being referenced
Low-order polynomial approximation of propagators for the time-dependent Schrödinger equation
1992
Conversion efficiencies from laser-produced plasmas in the extreme ultraviolet regime
1996
Viscosity dependence of a putative diffusion-limited reaction
1972
Critical point analysis of instabilities in Hamiltonian systems: Classical mechanics of stochastic intramolecular energy transfer
1979
Dynamical atom/surface effects: Quantum mechanical scattering and desorption
1984
Complex coordinates and the Stark effect
1978
Applications of a simple dynamical model to the reaction path Hamiltonian: tunneling corrections to rate constants, product state distributions, line widths of local mode overtones, and mode specificity in unimolecular decomposition
1982
Non-perturbative treatment of particle dynamics in a semiclassical photon field
1987
A comparison of different propagation schemes for the time dependent Schrödinger equation
1991 Standout
Contribution to the theory of freezing
1983
Elastic helium scattering studies of ordered overlayers of Ar, Kr, and Xe physisorbed on Ag(111)
1988
On finding transition states
1981
Harmonic generation in ionizing systems by the time-dependent complex coordinate Floquet method
1993
Crystallization of the classical one-component plasma
1984
Very Low Energy Collision Induced Vibrational Relaxation: An Overview
1983