Exploring isomerization dynamics on a potential energy surface with an index-2 saddle using lagrangian descriptors
Víctor J. García‐Garrido, Makrina Agaoglou, Stephen Wiggins
Topics & Concepts
Phase spaceIsomerizationPotential energy surfaceInvariant (physics)SaddleStatistical physicsNonlinear systemDegrees of freedom (physics and chemistry)Surface (topology)Reaction dynamicsSaddle pointClassical mechanicsPhysicsMathematicsQuantum mechanicsGeometryChemistryMathematical optimizationAb initioBiochemistryMoleculeCatalysisQuantum chaos and dynamical systemsProtein Structure and DynamicsNonlinear Dynamics and Pattern Formation