Sentence examples for order saddle from inspiring English sources
Results showed that surface soil in various geomorphological positions in the karst area presented KaI in the following order: saddle > slope > depression.
In the often-used classical harmonic approximation to TST, the transition state is simply a first order saddle point on the potential energy surface.
This method can be used when the transition state is assumed to be a single point on the potential energy surface (a first order saddle point).
Once the minimum energy geometries were obtained, the analytical frequency calculations were carried out for each stationary structure to verify if it was a minimum or a first order saddle point.
The local minima and first-order saddle points are located and then used to construct disconnectivity graphs.
The connecting first-order saddle points, the transition states between the equilibrium geometries, are obtained using a series of constrained geometry optimization in which the breaking bonds were fixed at various lengths and optimized the remaining internal coordinates.
The method is defined in the configurational energy landscape and defines moves in a two step fashion: (a) a configuration is first brought from a local minimum to a nearby first-order saddle point (the activation); and (b) the configuration is relaxed to a new metastable state (the relaxation).
Local minima and first-order saddle points on the potential energy surface of the (H2O)−6 cluster as described by a recently introduced one-electron model Hamiltonian are located using a combination of the basin-hopping Monte Carlo, doubly-nudged elastic band, and eigenvector-following methods.
Intrinsic reaction coordinate (IRC) calculations were performed on all transition states and confirmed these as first-order saddle points that connect the reactants to intermediates.
23, 24 Stationary points on the potential energy surface were characterized as minima or first-order saddle points (transition states) by evaluating harmonic frequencies at the optimized geometries.
A statistical characterization of the metastable minima and first-order saddles of the PEL highlights structural differences in the landscape of good and bad folding sequences and provides insight on the chain dynamics during folding.
