Citation Impact
Citing Papers
GROMACS: Fast, flexible, and free
2005 Standout
Rotational energy transfer (theory). II. HCl + He, Ar
1978 StandoutNobel
Effect of Ions on the Structure of Water: Structure Making and Breaking
2009 Standout
Hyperfine structure of the2 p P 1 2 2 Be + 9
1985 StandoutNobel
Vibrationally inelastic scattering and relaxation times in gaseous HF
1981
Dynamics of entangled linear polymer melts: A molecular-dynamics simulation
1990 Standout
A Dynamic Microporous Metal–Organic Framework with BCT Zeolite Topology: Construction, Structure, and Adsorption Behavior
2007 StandoutNobel
A perturbation analysis of current methods of calculating relativistic energies
1973
Total Synthesis of Borrelidin
2007 StandoutNobel
Nonadditive, three-body dipoles and forces on nuclei: New interrelations and an electrostatic interpretation
1996
An efficient algorithm for searching low-energy conformers of cyclic and acyclic molecules
1993
Energy transfer as a function of collision energy. IV. State-to-state cross sections for rotational-to-translational energy transfer in HF+Ne, Ar, and Kr
1982 StandoutNobel
Structures and vibrational spectra of water clusters in the self-consistent-field approximation
1992
Parallel Computers and Molecular Simulation
1987
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
2008 Standout
Chemistry of Unique Chiral Olefins. 4. Theoretical Studies of the Racemization Mechanism of trans- and cis-1,1‘,2,2‘,3,3‘,4,4‘-Octahydro-4,4‘-biphenanthrylidenes
1999 StandoutNobel
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
General atomic and molecular electronic structure system
1993 Standout
Parallel computation of molecular energy gradients on the loosely coupled array of processors (LCAP)
1987
Reactive cross section as a function of reagent energy. II. H(D)+HBr(DBr)→H2(HD,D2)+Br
1981 StandoutNobel
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
2000 Standout
Isothermal–isobaric molecular dynamics simulation of liquid water
1990
Terahertz Laser Vibration−Rotation Tunneling Spectroscopy of the Water Tetramer
1997
Solvent effect theories: Quantum and classical formalisms and their applications in chemistry and biochemistry
1992
A b i n i t i o study of intermolecular potential of H2O trimer
1991
Smoothed Particle Hydrodynamics (SPH): an Overview and Recent Developments
2010 Standout
Toward high-performance computational chemistry: II. A scalable self-consistent field program
1996
Parallel computation of the Moller–Plesset second‐order contribution to the electronic correlation energy
1988
Meshfree and particle methods and their applications
2002
Liquid water with an ab initio potential: X-ray and neutron scattering from 238 to 368 K
1992
A program system for ab initio MO calculations on vector and parallel processing machines
1991
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
2010 Standout
Techniques for the calculation of atomic structures and radiative data including relativistic corrections
1974 Standout
Molecular-dynamics simulation of liquid water with anab initioflexible water-water interaction potential
1986
Structures and energetics of the water heptamer: Comparison with the water hexamer and octamer
1999
Parallelization of quantum mechanical integral calculations
1992
Energy transfer as a function of collision energy. II.
1979 StandoutNobel
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
1996 Standout
The density functional formalism, its applications and prospects
1989 Standout
Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics
1992 Standout
Energy transfer as a function of collision energy. III. State-to-state cross sections for rotational-to-translational energy transfer in HF+Ar
1980 StandoutNobel
Coupled-cluster theory in quantum chemistry
2007 Standout
New Directions in Computational Fluid Dynamics
1989
Many-body calculations of atomic properties. II. Spin-orbit coupling
1983
Mode specific internal and direct rotational predissociation in HeHF, HeDF, and HeHCl: van der Waals complexes in the weak binding limit
1990
Determination of the van der waals potential of H-HCl, -HBr and -HI from resolved orbiting resonance maxima in very low energy scattering
1979
A front-tracking method for viscous, incompressible, multi-fluid flows
1992 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
Statistical Mechanics of Dissipative Particle Dynamics
1995 Standout
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Pinnacle: An approach toward object oriented quantum chemistry
1995 StandoutNobel
A parallel version of ARGOS: A distributed memory model for shared memory UNIX computers
1991
Attosecond timing of electron emission from a molecular shape resonance
2020 StandoutNobel
Computational chemistry on the FPS-X64 scientific computers
1987
The hydration shell structure of Li+ investigated by Born–Oppenheimer ab initio QM/MM dynamics
1998
Current Status of Transition-State Theory
1996 Standout
A program system for ab initio MO calculations on vector and parallel processing machines
1990
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K
2001 Standout
Eddy Formation in Obstructed Fluid Flow: A Molecular-Dynamics Study
1986
The calculation of intermolecular forces. A critical examination of the Gordon-Kim model
1978
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many-body interactions
1994
Hydration free energy for Li+ at infinite dilution with a three-body a b i n i t i o potential
1989
Works of John Detrich being referenced
Interaction potentials for He–HF and Ar–HF using the Gordon–Kim method
1976
Parallelism in computations in quantum and statistical mechanics
1985
Supercomputing and supercomputers for science and engineering in general and for chemistry and biosciences in particular
1989
Multiconfiguration calculation of the oxygenP 3
1975
Monte Carlo liquid water simulation with four-body interactions included
1984
Characteristic vibrational coupling behavior of intermolecular potentials
1977
Large-scale scientific application programs in chemistry and physics on an experimental parallel computer system
1985
Parallelism in quantum chemistry: Hydrogen bond study in DNA base pairs as an example
1984
Pauli Approximation in Many-Electron Atoms
1972