articleTop 10% cited
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
Journal of Computational Physics · 1977 · Vol. 23(3) · pp. 327–341
Jean-Paul Ryckaert✉(Université Paris-Saclay)Giovanni Ciccotti(Université Paris Cité)Herman J. C. Berendsen(Université Paris-Saclay)
Scientific Research and DiscoveriesAdvanced Physical and Chemical Molecular InteractionsQuantum chaos and dynamical systemsCartesian coordinate systemHolonomic constraintsVerlet integrationEquations of motionConstraint (computer-aided design)Numerical integrationClassical mechanicsMolecular dynamicsMotion (physics)Generalized coordinates
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21,225
FWCI
9.95
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98%
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References
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
Physical Review · 1967 · 9,233 citations
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