enow.com Web Search

Search results

  1. Results from the WOW.Com Content Network
  2. Reaction coordinate - Wikipedia

    en.wikipedia.org/wiki/Reaction_coordinate

    In chemistry, a reaction coordinate [1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway. Where possible it is usually a geometric parameter that changes during the conversion of one or more molecular entities, such as bond length or bond angle. For example, in the homolytic dissociation of ...

  3. Energy profile (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Energy_profile_(chemistry)

    Figure 1: Reaction Coordinate Diagram: Starting material or reactant A convert to product C via the transition state B, with the help of activation energy ΔG ≠, after which chemical energy ΔG° is released. Qualitatively, the reaction coordinate diagrams (one-dimensional energy surfaces) have numerous applications.

  4. Transition state theory - Wikipedia

    en.wikipedia.org/wiki/Transition_state_theory

    At 298 K, a reaction with ΔG ‡ = 23 kcal/mol has a rate constant of k ≈ 8.4 × 10 −5 s −1 and a half life of t 1/2 ≈ 2.3 hours, figures that are often rounded to k ~ 10 −4 s −1 and t 1/2 ~ 2 h. Thus, a free energy of activation of this magnitude corresponds to a typical reaction that proceeds to completion overnight at room ...

  5. Potential energy surface - Wikipedia

    en.wikipedia.org/wiki/Potential_energy_surface

    The transition state is a maximum in the reaction coordinate and a minimum in the coordinate perpendicular to the reaction path. The advance of time describes a trajectory in every reaction. Depending on the conditions of the reaction the process will show different ways to get to the product formation plotted between the 2 axes.

  6. Population balance equation - Wikipedia

    en.wikipedia.org/wiki/Population_balance_equation

    Consider the average number of particles with particle properties denoted by a particle state vector (x,r) (where x corresponds to particle properties like size, density, etc. also known as internal coordinates and, r corresponds to spatial position or external coordinates) dispersed in a continuous phase defined by a phase vector Y(r,t) (which again is a function of all such vectors which ...

  7. Folding funnel - Wikipedia

    en.wikipedia.org/wiki/Folding_funnel

    Funnels distinguish the basics between folding and simple classical chemical reactions analogy. A chemical reaction starts from its reactant A and goes through a change in structure to reach its product B. On the other hand, folding is a transition from disorder to order, not only from structure to structure. Simple one-dimensional reaction ...

  8. AOL Mail

    mail.aol.com/?icid=aol.com-nav

    Get AOL Mail for FREE! Manage your email like never before with travel, photo & document views. Personalize your inbox with themes & tabs. You've Got Mail!

  9. Molecular Hamiltonian - Wikipedia

    en.wikipedia.org/wiki/Molecular_Hamiltonian

    The first 3N − 6 rows of Q are—for molecules in their ground state—eigenvectors with non-zero eigenvalue; they are the internal coordinates and form an orthonormal basis for a (3N - 6)-dimensional subspace of the nuclear configuration space R 3N, the internal space. The zero-frequency eigenvectors are orthogonal to the eigenvectors of non ...