SEARCH Articles Figures Tables Ab initio direct dynamics Adiabatic systems, direct molecular dynamics Applications of Born-Oppenheimer Direct Dynamics Born-Oppenheimer Direct Dynamics Classical Trajectory Simulations Chemical direct dynamics trajectory Chemical direct dynamics trajectory mechanism Conical intersections direct molecular dynamics, vibronic coupling Crystal growth direct molecular dynamic simulations Density operator, direct molecular dynamics Direct Born-Oppenheimer molecular dynamics Direct Dynamics Displacement Direct Dynamics closed-chain Direct Dynamics definition Direct Dynamics for Single Closed Chains Direct Dynamics for Single Open Chains Direct Dynamics inversion methods Direct Dynamics joint Direct Dynamics mechanisms Direct Dynamics open-chain Direct Dynamics recursive methods Direct dynamics Born-Oppenheimer Direct dynamics approach Direct dynamics calculations Direct dynamics dual-level - - Direct dynamics semiclassical Direct dynamics simulation Direct dynamics straight Direct molecular dynamics Direct molecular dynamics Born-Oppenheimer approximation Direct molecular dynamics CASSCF techniques Direct molecular dynamics Gaussian wavepacket propagation Direct molecular dynamics Gaussian wavepackets and multiple Direct molecular dynamics Hamiltonian equations Direct molecular dynamics Hamiltonian model Direct molecular dynamics MMVB) Direct molecular dynamics Renner-Teller effect Direct molecular dynamics ab initio multiple spawning Direct molecular dynamics adiabatic properties Direct molecular dynamics conical intersections Direct molecular dynamics dependency properties Direct molecular dynamics diabatic properties Direct molecular dynamics electronic states Direct molecular dynamics expansion Direct molecular dynamics mixed techniques Direct molecular dynamics nuclear Schrodinger equation Direct molecular dynamics principles Direct molecular dynamics propagation mechanisms Direct molecular dynamics reaction Direct molecular dynamics recent studies Direct molecular dynamics semiclassical calculation Direct molecular dynamics semiempirical studies Direct molecular dynamics spawning Direct molecular dynamics theoretical background Direct molecular dynamics trajectory surface hopping Direct molecular dynamics triatomic molecules Direct molecular dynamics vibronic coupling, adiabatic effects Direct molecular dynamics vibronic effects Direct molecular dynamics, ab initio multiple Direct molecular dynamics, adiabatic systems initial conditions Direct molecular dynamics, complete active Direct molecular dynamics, complete active space self-consistent field Direct molecular dynamics, complete active technique Direct molecular dynamics, non-adiabatic Direct molecular dynamics, non-adiabatic coupling Direct molecular dynamics, nuclear motion Direct molecular dynamics, nuclear motion Schrodinger equation Direct molecular dynamics, nuclear motion classical mechanics Direct molecular dynamics, theoretical Direct molecular dynamics, vibronic coupling Direct nonadiabatic dynamics Direct reaction dynamics Direct-dynamics methods Dynamic directional carbohydrates Dynamic simulation Direct Dynamics Electron transfer direct molecular dynamics Hydrogen tunnelling direct dynamics approach Jahn-Teller effect direct molecular dynamics Membrane proteins, site-directed solid-state dynamics Morse potentials, direct molecular dynamics Multiple spawning, direct molecular dynamics Photodissociation, direct molecular dynamics Photon capture, direct molecular dynamics Quantum chemistry, direct molecular dynamics Quasiclassical direct dynamics Quasiclassical direct dynamics trajectories Schrodinger equation direct molecular dynamics Semiempirical direct dynamics Sequence-directed dynamics Sequence-directed dynamics photophysical probes Surface hopping, direct molecular dynamics Time-dependent equation direct molecular dynamics Trajectory properties, direct molecular dynamics Wave function direct molecular dynamics