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Contents
INTRODUCTION
Knowledge of the potential energy surface[1]
In this thesis terms `potential energy landscape' and PES
are used synonymously. At the time of writing
searching for ``potential energy surface'' and
``potential energy landscape'' in Google
yielded 259,000 and 17,800 hits, respectively.
(PES)
and the ability to use this knowledge
grant extraordinary powers of prediction about the structure,
dynamics and thermodynamics of any molecular system [9].
A potential, also known as a force field,
is used to formally specify the PES in theoretical studies.
Subsections
Semen A Trygubenko
2006-04-10