Phase space conduits for reaction in multidimensional systems: HCN isomerization in three dimensions.
about
Isomerization and dissociation dynamics of HCN in a picosecond infrared laser field: a full-dimensional classical study.Transition state theory for laser-driven reactions.Quantum reaction boundary to mediate reactions in laser fields.Non-linear dynamics of the photodissociation of nitrous oxide: equilibrium points, periodic orbits, and transition states.Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone.Crossing the dividing surface of transition state theory. II. Recrossing times for the atom-diatom interaction.Phase space geometry of dynamics passing through saddle coupled with spatial rotation.Critical points bifurcation analysis of high-l bending dynamics in acetylene.Bond breaking in a Morse chain under tension: fragmentation patterns, higher index saddles, and bond healing.Intramolecular energy transfer and the driving mechanisms for large-amplitude collective motions of clusters.Nonstatistical dynamics on potentials exhibiting reaction path bifurcations and valley-ridge inflection points.Crossing the dividing surface of transition state theory. IV. Dynamical regularity and dimensionality reduction as key features of reactive trajectories.Transition state theory for solvated reactions beyond recrossing-free dividing surfaces.Crossing the dividing surface of transition state theory. III. Once and only once. Selecting reactive trajectories.Why and how do systems react in thermally fluctuating environments?Nonstatistical dynamics on the caldera.Crossing the dividing surface of transition state theory. I. Underlying symmetries and motion coordination in multidimensional systems.Reaction dynamics through kinetic transition states.Chaotic dynamics in multidimensional transition states.Isomerization dynamics of a buckled nanobeam.Reaction rate calculation with time-dependent invariant manifolds.Index k saddles and dividing surfaces in phase space with applications to isomerization dynamics.The flux-flux correlation function for anharmonic barriers.Efficient computation of transition state resonances and reaction rates from a quantum normal form.Phase space structure and dynamics for the Hamiltonian isokinetic thermostat.Dynamic pathways to mediate reactions buried in thermal fluctuations. I. Time-dependent normal form theory for multidimensional Langevin equation.Efficient procedure to compute the microcanonical volume of initial conditions that lead to escape trajectories from a multidimensional potential well.
P2860
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P2860
Phase space conduits for reaction in multidimensional systems: HCN isomerization in three dimensions.
description
2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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2004年学术文章
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2004年学术文章
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name
Phase space conduits for react ...... erization in three dimensions.
@en
Phase space conduits for react ...... erization in three dimensions.
@nl
type
label
Phase space conduits for react ...... erization in three dimensions.
@en
Phase space conduits for react ...... erization in three dimensions.
@nl
prefLabel
Phase space conduits for react ...... erization in three dimensions.
@en
Phase space conduits for react ...... erization in three dimensions.
@nl
P2860
P356
P1476
Phase space conduits for react ...... merization in three dimensions
@en
P2093
Holger Waalkens
P2860
P304
P356
10.1063/1.1789891
P407
P577
2004-10-01T00:00:00Z