Citation Impact
Citing Papers
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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1977
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Nuclear relaxation and molecular properties
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On the dielectric theory and computer simulation of water
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Microscopic simulations of macroscopic dielectric constants of solvated proteins
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Raman spectroscopy in liquids at high pressure
1973
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
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Relation of vibrational frequency shifts to molecular compression in liquid benzene
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Adaptive multilevel finite element solution of the Poisson-Boltzmann equation II. Refinement at solvent-accessible surfaces in biomolecular systems
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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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Graphenes as Potential Material for Electronics
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A surface constrained all-atom solvent model for effective simulations of polar solutions
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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
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Reactive modes in condensed phase reactions
1981
Molecular dynamics with coupling to an external bath
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Molecular dynamics—VI
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Broadband dynamics in neat 4-methyl-3-heptanol and in mixtures with 2-ethyl-1-hexanol
2013
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1974
Investigations of static properties of model bulk polymer fluids
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Deep Eutectic Solvents: A Review of Fundamentals and Applications
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1988
Electrostatics of nanosystems: Application to microtubules and the ribosome
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The extended Ewald method: A general treatment of long-range electrostatic interactions in microscopic simulations
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Pressure effect on the quenching of singlet oxygen by amines in different solvents
1996
Time-Dependent Reorientation Probabilities and Molecular Relaxation
1967
Accurate simulation of protein dynamics in solution.
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Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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Pressure effects on the dynamic structure of liquids
1984
Nuclear magnetic relaxation in liquid ammonia and conditional inertial rotation in liquids
1969
Hydrogen-bond kinetics in liquid water
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The stable states picture of chemical reactions. I. Formulation for rate constants and initial condition effects
1980
Canonical sampling through velocity rescaling
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Simulation of Diatomic Homonuclear Liquids
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Molecular dynamics simulations on distributed memory machines
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High-performance transition metal–doped Pt 3 Ni octahedra for oxygen reduction reaction
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Research Development on Sodium-Ion Batteries
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Quantum Mechanical Continuum Solvation Models
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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2019 StandoutNobel
Dynamics of molecular reorientational motion and vibrational relaxation for symmetric top molecules in the liquid phase
1976
Computer Simulation of the Static Dielectric Constant of Systems with Permanent Electric Dipoles
1986
Raman line shape study of the ν1 band of chloroform in a polar solvent
1978 StandoutNobel
Effects of solute–solvent coupling and solvent saturation on solvation dynamics of charge transfer reactions
1988 StandoutNobel
Computing aspects of molecular dynamics simulation
1992
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A smooth particle mesh Ewald method
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Works of C. Brot being referenced
Inertial effects in discrete sites model of rotational freedom. Autocorrelation function and dipolar absorption
1968
Vibrateurs et librateurs classiques perturbés par chocs
1967
Open and cyclic multimers in alcohol solutions. A quantitative model for the association and the permittivity
1991
Dipole moment and far infra-red absorption of quinuclidine (1-aza-bicyclo-[2-2-2]-octane)
1974
Light scattering evidence for fast relaxation of hydrogen-bonded structures in liquid benzyl alcohol
1978
New molecular dynamics simulation of a 3D fluid of Stockmayer and modified Stockmayer particles
1984
Sur l’analyse de certaines dispersions d’orientation dipolaire
1956
Statistical dynamics of a rotator in a potential of cubic symmetry
1971
Generalized Debye-Falkenhagen energy in condensed matter
1973
Dipolar behaviour of molecular fluids up to the critical point
1972
Orientational Freedom of Molecules in Crystals. II. Higher-Order Transition by Progressive Decorrelation of Orientations. A Monte Carlo Calculation
1970
Constantes diélectriques statiques et structure des solutions de molécules polaires dans des solvants non polaires
1964
Comment on ``Dispersion at Millimeter Wavelengths in Methyl and Ethyl Alcohols''
1963
Motional Disorder in Hexasubstituted Chloromethylbenzenes
1972
Angular correlations and rotational motion in computer-simulated liquid nitrogen
1975
Molecular dynamics calculation of the dielectric constant
1981
Atom–Atom Potential in Molecular Dynamics Computation of Orientational Motion
1971
New method for searching for neighbors in molecular dynamics computations
1973
Statistical dynamics of a classical hindered rotator
1969
Sur la dispersion diélectrique dans le domaine décimétrique et centimétrique
1953
Hydrogen bonded clusters of alcohol molecules in inert solvents: a chain statistics approach
1989
Molecular dynamics calculation of the dielectric constant
1980
The pre-exponential factor in activated reorientational processes
1969
On the Nonlinear Dielectric Behavior of Desoxyribonucleic Acid Fibers at Low Frequencies
1965
Molecular dynamics calculation of the dielectric constant
1980