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Inside Cover: Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited‐State Proton Transfer of 4‐Hydroxyacridine (ChemPhysChem 10/2015)
Author(s) -
Curchod Basile F. E.,
Penfold Thomas J.,
Rothlisberger Ursula,
Tavernelli Ivano
Publication year - 2015
Publication title -
chemphyschem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201590052
Subject(s) - surface hopping , proton , intramolecular force , excited state , chemistry , ab initio , cover (algebra) , reaction dynamics , chemical physics , ab initio quantum chemistry methods , trajectory , dynamics (music) , molecular dynamics , molecular physics , atomic physics , computational chemistry , molecule , physics , quantum mechanics , stereochemistry , organic chemistry , mechanical engineering , acoustics , engineering
On p. 2127, T. J. Penfold, I. Tavernelli et al. use a local control theory combined with nonadiabatic ab initio molecular dynamics to design a pulse that triggers a photoinduced intramolecular proton‐transfer reaction in 4‐hydroxyacridine.