molecular dynamics

(redirected from Reaction dynamics)

molecular dynamics

[mə′lek·yə·lər di′nam·iks]
(physical chemistry)
A branch of physical chemistry concerned with molecular mechanisms of the elementary physical and chemical processes that control rates of reaction.
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Summary: The reaction dynamics of Cry1Ab toxin from Bacillus thuringiensis with sodium, calcium and lead ions was studied by fluorescence quenching technique.
An understanding of the degree of crystallinity, thermal behaviour and reaction dynamics during calcination are vital in characterizing kaolin for optimal exploitation (Madejova, 2003; Ekosse and Mulaba, 2008; Vaculikova et al.
19282 was named after Zhang Cunhao, who is the founder of the field of high-energy chemical lasers in China and one of the pioneers in the field of molecular reaction dynamics.
A thorough discussion of organic reaction dynamics and a chapter describing the latest computational approaches conclude the text.
L, The classical trajectory approach to reactive scattering, in Theory of Chemical Reaction Dynamics Vol.
Nipp and Stoffer (both mathematics, Eidgenossische Technische Hochschule, Zurich) investigate dynamical systems from a geometric perspective, focusing on invariant manifolds, which are an important tool in mechanical systems, chemical reaction dynamics, fluid mechanics, electronic circuit theory, and other applications.
3-D biological imaging, chemical reaction dynamics, and atomic and molecular structure.
We aim to develop the study of the reaction dynamics in enzyme active sites after photoinitiation of an active co-factor.
However, it is very difficult to study bimolecular reaction dynamics in liquids due to the billions of collisions occurring per second in liquids.
Polanyi, a faculty member at U of T's Department of Chemistry since 1956, is one of three winners of the 1986 Nobel Prize in chemistry in recognition of the development of the new field of reaction dynamics.
of Chicago) presents seven papers on: the influence of the geometric phase on reaction dynamics, optimal control theory for manipulating molecular processes, comprehension and control of nonadiabatic chemical dynamics and manifestation of molecular functions, exploration of multiple reaction paths to a single product channel, photoelectron circular dichroism in chiral molecules, spectroscopy of the potential energy surfaces for C-H and C-O bond activation by transition metal and metal oxide cation, and stabilization of different conformers of weakly bound complexes to access varying excited-state intermolecular dynamics.
DICP houses three national laboratories for the Chinese Academy of Sciences and employs more than 1,200 research scientists in such fields as catalysis, molecular reaction dynamics and FCs.