# SEARCH

** Ab initio calculations reaction path Hamiltonian **

** Ab initio calculations reaction path applications **

** Abstraction, multiple reaction paths **

** Acceleration of Some Reaction Paths **

** Activated complex or transition state reaction path **

** Amplitudes, reaction path states **

** Bifurcation regions, reaction paths **

** Calculated reaction paths calculations **

** Canonical variational transition-state surfaces . reaction path **

** Cartesian coordinates, reaction paths **

** Cartesian coordinates, reaction paths potential energy surfaces **

** Complex Reaction Paths to Natural Products **

** Conic intersections reaction paths and potential energy **

** Conical intersection excited-state reaction path **

** Conical intersection ground-state reaction path **

** Conical intersection photochemical reaction path **

** Conical intersection reaction paths **

** Convergence, reaction paths, potential **

** Convergence, reaction paths, potential surfaces **

** Curved segments, reaction paths **

** Determination of the reaction path **

** Distinguished coordinate reaction paths **

** Distinguished coordinate reaction paths potentials for **

** Electronic effect on the reaction path **

** Electronic structure reaction path techniques **

** Electronically excited state reaction paths **

** Enzymes reaction paths and energy barriers **

** Equilibrium reaction paths and catalyst effects **

** First-order reaction path following **

** G mechanism reaction paths for ring-opening **

** Geometric phase reaction paths and potential energy **

** Hamiltonian reaction-path method **

** Heterogeneous reactions and catalytic processes reaction paths **

** Highly symmetric reaction paths **

** Homogeneous reactions rate-determining path **

** Industrial chemistry, reaction-path synthesis **

** Initialization of the reaction path dynamics **

** Internal coordinates limits of reaction paths and **

** Internal effect on the reaction path **

** Interpolation surfaces, reaction paths **

** Intrinsic reaction path coordinates **

** Intrinsic reaction path energy profile **

** Intrinsic reaction path harmonic vibrational frequencies **

** Inversion symmetry, reaction paths **

** Kinetic reaction path numerical solution **

** Large structures, reaction path for **

** Mass-weighted Cartesian coordinates steepest descent reaction paths **

** Mean free path for removal reaction **

** Microwave irradiation reaction path **

** Minimum energy path chain reactions **

** Minimum energy path chemical reactions **

** Minimum energy path reaction rate theory **

** Minimum energy reaction path Diels-Alder reactions **

** Minimum gradient reaction path **

** Molecular symmetry group, reaction paths **

** Multiple reaction paths electronic structure **

** Multiple reaction paths minimum energy path **

** Multiple reaction paths transition-state pathways **

** Multiple reaction paths, single-product **

** Multiple reaction paths, single-product channels **

** Normal mode coordinates reaction path **

** On the Definition of a Reaction Path (RP) **

** Particle size effect on reaction path **

** Path integrals, reaction dynamics **

** Path to useful computation of reactions **

** Pathway minimal energy reaction path **

** Phase-space transition states reaction paths **

** Possible Paths for the Oxygen Evolution Reaction **

** Potential Energy Surface Molecular Structure, Transition States, and Reaction Paths **

** Potential energy surface multiple reaction paths **

** Potential energy surface reaction path **

** Potential energy surfaces reaction paths, calculation **

** Potential energy surfaces surface atom reaction paths **

** Practical Computation of Photochemical Reaction Paths **

** Proton reaction path calculations and energy **

** Proton transfer reactions, path-integral **

** Pyrolysis reaction path of hydrocarbons **

** Radical paths reactions with neutrals **

** Reaction Path Calculations and Energy Barriers for Proton Transfer **

** Reaction Paths and Transition States **

** Reaction Paths for Nucleophilic Substitution (SN2) Reactions **

** Reaction Paths with Phosphoranes **

** Reaction coordinate least motion path **

** Reaction coordinate minimum energy path **

** Reaction coordinates transition path ensemble **

** Reaction path Hamiltonian Miller, Handy, and Adams **

** Reaction path Hamiltonian analysis **

** Reaction path Hamiltonian applications **

** Reaction path Hamiltonian calculation of terms **

** Reaction path Hamiltonian dynamics **

** Reaction path Hamiltonian methodology **

** Reaction path The route followed **

** Reaction path conjugate peak refinement **

** Reaction path for the proton transfer **

** Reaction path fundamental groupoid **

** Reaction path intrinsic - - (IRP **

** Reaction path variational method **

** Reaction path zero-point energy **

** Reaction paths experimental determination **

** Reaction paths in dodecene cracking **

** Reaction paths least-motion path **

** Reaction paths synchronous transit method **

** Reaction paths, ab initio studies, effect of electron **

** Reaction paths, ab initio studies, effect of electron correlation **

** Reaction paths, hardness profiles **

** Reaction paths, potential energy surfaces bifurcations **

** Reaction paths, potential energy surfaces dynamics **

** Reaction paths, potential energy surfaces examples **

** Reaction paths, potential energy surfaces limitations **

** Reaction paths, potential energy surfaces principles **

** Reaction paths, potential energy surfaces solution reactions **

** Reaction progress variable kinetic path **

** Results of reaction path simulation **

** Saddle point geometry reaction paths **

** Second order reaction path following **

** Simulation techniques reaction path methods **

** Solution reaction path Hamiltonian **

** Stability and the Reaction Path **

** Steepest descent reaction paths **

** Steepest descent reaction paths, potential **

** Steepest descent reaction paths, potential energy surfaces **

** Synthesis industrial reaction path **

** The Reaction Path Hamiltonian and Variational Transition State Theory **

** Trajectory calculations, reaction path **

** Trajectory calculations, reaction path applications **

** Trajectory calculations, reaction path potential energy surfaces **

** Transition path sampling reaction coordinates and order **

** Transition state theory multiple reaction paths **

** Tunneling reaction path curvature **

** Valence bond theory reaction path **

** Variational reaction path algorithm **

** Variational transition state theory (VTST reaction paths **