potential energy surface वाक्य
उदाहरण वाक्य
मोबाइल
- The observation of IRCL was developed as a kinetic technique by John Polanyi, who used it to study the attractive or repulsive nature of the potential energy surface for gas-phase reactions.
- Recently Mukherjee has developed a suite of state-specific many-body formalisms like coupled cluster and perturbative theories which bypass the difficulty of the notorious intruder problem for computing potential energy surfaces.
- For his incisive reviews on transition-state theory, potential energy surfaces, quantum scattering theory, and solvation models, which have informed and enlightened the chemical physics community for a generation.
- If the activation energy required is higher than the available thermal energy, the rotor undergoes " site exchange ", jumping in discrete steps between local energy minima on the potential energy surface.
- More realistic models are tailored to a specific problem and include the transition state theory, the calculation of the potential energy surface, the Marcus theory and the Rice Ramsperger Kassel Marcus ( RRKM ) theory.
- The large magnitude of vibronic coupling near avoided crossings and conical intersections allows wavefunctions to propagate from one adiabatic potential energy surface to another, giving rise to nonadiabatic phenomena such as Longuet-Higgins in this context.
- A multidimensional potential energy surface ( PES ) derived from effective medium theory is used to describe the effect of the surface on absorption, but only certain parts of it are used depending on what is to be studied.
- In addition, theoretical studies of reaction dynamics involve calculating the potential energy surface for a reaction as a function of nuclear positions, and then calculating the trajectory of a point on this surface representing the state of the system.
- Researchers continued to search for novel ways to determine whether the three-centered delocalized picture described a low-energy transition state ( saddle point on the multidimensional potential energy surface ) or a potential energy minimum in its own right.
- In addition to his coupled-cluster work, Piecuch has made major contributions to fundamental understanding and formal description of intermolecular forces, particularly pairwise non-additive effects, and developed potential energy surface extrapolation schemes based on scaling correlation energies.
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