transitionstate

2020年5月13日 — The transition state represents a point of such high energy that it cannot possibly exist for any length of time. As an analogy, think of a ...

it is usually assumed that there is a transition state of more positive molar Gibbs energy between the reactants and the products through which an assembly ...

由 S Choi 著作 · 2023 · 被引用 17 次 — In this paper, a machine learning (ML) model for predicting the TS structures of general organic reactions is proposed. The proposed model ...

The transition state, or activated complex, is the fleeting molecular configuration that exists at the top of the energy barrier that the reactants must ...

A transition state that resembles the reactants more than the products is said to be early, while a transition state that resembles the products more than the ...

All chemical transformations pass through an unstable structure called the transition state, which is poised between the chemical structures of the substrates ...

Transition-state theory, treatment of chemical reactions that regards them as proceeding by a continuous change in the relative positions and potential ...

Transition state is the highest point (or points) on the reaction coordinate diagram. Those are the “peaks” or the “hills” in the picture.

2010年11月3日 — A transition state is a very short-lived configuration of atoms at a local energy maximum in a reaction-energy diagram (aka reaction coordinate) ...