TY - JOUR
T1 - Chemical kinetics and mechanisms of complex systems
T2 - A perspective on recent theoretical advances
AU - Klippenstein, Stephen J.
AU - Pande, Vijay S.
AU - Truhlar, Donald G.
PY - 2014/1/15
Y1 - 2014/1/15
N2 - This Perspective presents a personal overview of the current status of the theory of chemical kinetics and mechanisms for complex processes. We attempt to assess the status of the field for reactions in the gas phase, at gas-solid interfaces, in liquid solutions, in enzymes, and for protein folding. Some unifying concepts such as potential energy surfaces, free energy, master equations, and reaction coordinates occur in more than one area. We hope this Perspective will be useful for highlighting recent advances and for identifying important areas for future research.
AB - This Perspective presents a personal overview of the current status of the theory of chemical kinetics and mechanisms for complex processes. We attempt to assess the status of the field for reactions in the gas phase, at gas-solid interfaces, in liquid solutions, in enzymes, and for protein folding. Some unifying concepts such as potential energy surfaces, free energy, master equations, and reaction coordinates occur in more than one area. We hope this Perspective will be useful for highlighting recent advances and for identifying important areas for future research.
UR - http://www.scopus.com/inward/record.url?scp=84892738066&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84892738066&partnerID=8YFLogxK
U2 - 10.1021/ja408723a
DO - 10.1021/ja408723a
M3 - Review article
AN - SCOPUS:84892738066
SN - 0002-7863
VL - 136
SP - 528
EP - 546
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 2
ER -