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Time-dependent theory of photodissociation and non-adiabatic processes

2000-2004Book Chapters
G.G. Balint-Kurti and A. Brown
in Time-dependent Quantum Dynamics, edited by S.C. Althorpe, P. Soldan, and G.G. Balint-Kurti (CCP6, Daresbury, 2001), 83-88.
Publication year: 2001

Time-dependent wave packet calculations for reactive scattering and photodissociation

2000-2004Book Chapters
G.G. Balint-Kurti and A. Brown
in Theory of Chemical Reaction Dynamics, edited by A. Lagana and G. Lendvay (Kluwer Academic Publishers, Dordrecht, 2004), 145-189.
Publication year: 2004

Driven molecular dynamics for normal modes of biomolecules without the Hessian, and beyond

2005-2009Book Chapters
M. Kaledin, A.L. Kaledin, A. Brown, and J.M. Bowman
in Normal Mode Analysis: Theory and Applications to Biological and Chemical Systems, edited by Q. Cui and I. Bahar, (CRC Press, 2006), pp.281-300.
Publication year: 2006

Time-dependent wave packet studies of hydrogen halide dissociation: Polarization of atomic photofragments

2005-2009Book Chapters
A. Brown
in Vector Correlation and Alignment in Chemistry, edited by G.G. Balint-Kurti and M.P. de Miranda (CCP6, Daresbury, 2006), pp.73-78.
Publication year: 2006

Photodissociation dynamics: Polarization of atomic photofragments

2005-2009Book Chapters
A. Brown, G.G. Balint-Kurti, and O.S. Vasyutinskii
in Atoms and Molecules in Laser and External Fields, edited by M. Mohan (Narosa Publishing House, New Dehli, 2008), pp.51-58.
Publication year: 2008

The Dynamics of Quantum Computing in Molecules

2010-2014Book Chapters
A. Brown and R.R. Zaari
in Molecular Quantum Dynamics: From Theory to Applications (Physical Chemistry in Action), edited by F. Gatti (Springer, Berlin, 2014), pp. 249-270.
Publication year: 2014

Two Photon Absorption in Biological Molecules

2015-2019Book Chapters
M. Alaraby Salem, M. Gedik and A. Brown
Handbook of Computational Chemistry, ed. J. Leszczynski, pp.1875-1893 (2016)
Publication year: 2016

Two-photon absorption (TPA) leads to higher-energy excited electronic states via the simultaneous absorption of two photons. In TPA, the absorption is directly proportional to the square of incident light intensity, and thus lasers are required for excitation. The advantages of TPA microscopy include better focus and less out-of-focus bleaching, together with absorption at longer wavelengths than in one-photon absorption, which leads to deeper penetration in scattering media, such as tissues. However, TPA probes are usually associated with less sensitivity, and thus designing TPA fluorophores with large absorption probability is an important area of research. TPA of biological molecules like fluorescent proteins and nucleic acids is of particular interest. These molecules are experimentally produced through utilization of the naturally present transcription mechanism in the cell and thus pose less cell toxicity. In this chapter, we review the theory of TPA highlighting the computational approaches used to study biological molecules. We discuss the computational methods available for exploring TPA and recent computational studies on the TPA of fluorescent proteins and nucleic acid base analogues. The chapter concludes by highlighting possible research avenues and unanswered questions.