Discussion summary and research papers, in physical chemistry, chemical physics and biophysical chemistry.
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Contents list for Faraday Discussions, volume 127, 2004
Front Cover
Papers
NON-ADIABATIC EFFECTS IN CHEMICAL DYNAMICS
Introductory lecture: Nonadiabatic effects in chemical dynamics
Ahren W. Jasper, Chaoyuan Zhu, Shikha Nangia and Donald G. Truhlar,
Faraday Discuss., 2004, 127, 1
DOI: 10.1039/b405601a
Ultrafast temporary charge transfer in pyrrolidinyl–benzonitrile and pyrrolyl–benzonitrile in the gas phase
Werner Fuß, Wolfgang Rettig, Wolfram E. Schmid, Sergei A. Trushin and Tomoyuki Yatsuhashi,
Faraday Discuss., 2004, 127, 23
DOI: 10.1039/b313691d
Regularized diabatic states and quantum dynamics on intersecting potential energy surfaces
H. Köppel,
Faraday Discuss., 2004, 127, 35
DOI: 10.1039/b314471b
Discussion
A resonance-mediated non-adiabatic reaction: F*(2P1/2)
+HD
HF(v
=3)+D
Shih-Huang Lee, Feng Dong and Kopin Liu,
Faraday Discuss., 2004, 127, 49
DOI: 10.1039/b314529h
Papers
Details and consequences of the nonadiabatic coupling in the Cl(2P)+H2 reaction
Millard H. Alexander, Gabriella Capecchi and Hans-Joachim Werner,
Faraday Discuss., 2004, 127, 59
DOI: 10.1039/b314189f
Target isotope effects for vibrationally-resolved electron capture in low-energy collisions of O3+ with molecular hydrogen
P. C. Stancil, J. G. Wang, A. R. Turner and D. L. Cooper,
Faraday Discuss., 2004, 127, 73
DOI: 10.1039/b314016d
Discussion
General Discussion
Faraday Discuss., 2004, 127, 81
DOI: 10.1039/b407958m
Papers
Rapid timescale processes and the role of electronic surface coupling in the photolysis of diatomic ligands from heme proteins
Paul M. Champion, Florin Rosca, Dan Ionascu, Wenxiang Cao and Xiong Ye,
Faraday Discuss., 2004, 127, 123
DOI: 10.1039/b316440c
Strickler–Berg analysis of excited singlet state dynamics in DNA and RNA nucleosides
Boiko Cohen, Carlos E. Crespo-Hernández and Bern Kohler,
Faraday Discuss., 2004, 127, 137
DOI: 10.1039/b316939a
Conical intersection dynamics in solution: The chromophore of Green Fluorescent Protein
A. Toniolo, S. Olsen, L. Manohar and T. J. Martínez,
Faraday Discuss., 2004, 127, 149
DOI: 10.1039/b401167h
Discussion
Spin-forbidden CO ligand recombination in myoglobin
Jeremy N. Harvey,
Faraday Discuss., 2004, 127, 165
DOI: 10.1039/b314768a
Papers
Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins
Annapaola Migani, Adalgisa Sinicropi, Nicolas Ferré, Alessandro Cembran, Marco Garavelli and Massimo Olivucci,
Faraday Discuss., 2004, 127, 179
DOI: 10.1039/b315217k
Non-adiabatic intramolecular and photodissociation dynamics studied by femtosecond time-resolved photoelectron and coincidence imaging spectroscopy
O. Geßner, E. t.-H. Chrysostom, A. M. D. Lee, D. M. Wardlaw, M.-L. Ho, S.-J. Lee, B.-M. Cheng, M. Z. Zgierski, I.-C. Chen, J. P. Shaffer, C. C. Hayden and A. Stolow,
Faraday Discuss., 2004, 127, 193
DOI: 10.1039/b316742a
Experimental observation of competing pathways in the relaxation of ICl* in a He supersonic expansion
Joshua P. Darr and Richard A. Loomis,
Faraday Discuss., 2004, 127, 213
DOI: 10.1039/b316117j
Discussion
General Discussion
Faraday Discuss., 2004, 127, 227
DOI: 10.1039/b407959k
Papers
Photodissociation dynamics of pyrrole: Evidence for mode specific dynamics from conical intersections
J. Wei, J. Riedel, A. Kuczmann, F. Renth and F. Temps,
Faraday Discuss., 2004, 127, 267
DOI: 10.1039/b403191c
Time-dependent quantum wave-packet description of the 1
* photochemistry of pyrrole
Valérie Vallet, Zhenggang Lan, Susanta Mahapatra, Andrzej L. Sobolewski and Wolfgang Domcke,
Faraday Discuss., 2004, 127, 283
DOI: 10.1039/b402979h
New paradigm of transition metal polypyridine complex photochemistry
Johan Andersson, Fausto Puntoriero, Scolastica Serroni, Arkady Yartsev, Torbjörn Pascher, Tomas Polivka, Sebastiano Campagna and Villy Sundström,
Faraday Discuss., 2004, 127, 295
DOI: 10.1039/b316160a
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets
G. A. Worth, M. A. Robb and I. Burghardt,
Faraday Discuss., 2004, 127, 307
DOI: 10.1039/b314253a
Marching along ridges. An extrapolatable approach to locating conical intersections
David R. Yarkony,
Faraday Discuss., 2004, 127, 325
DOI: 10.1039/b313937a
On diabatization and the topological D-matrix: Theory and numerical studies of the H+H2 system and the C2H2 molecule
M. Baer, T. Ve'rtesi, G. J. Halász, Á. Vibók and S. Suhai,
Faraday Discuss., 2004, 127, 337
DOI: 10.1039/b313883f
Discussion
General Discussion
Faraday Discuss., 2004, 127, 355
DOI: 10.1039/b407960b
Time resolved solvent rearrangement dynamics
Todd Sanford, Django Andrews, Jeff Rathbone, Mark Taylor, Felician Muntean, Matthew Thompson, Anne B. McCoy, Robert Parson and W. Carl Lineberger,
Faraday Discuss., 2004, 127, 383
DOI: 10.1039/b316330j
Papers
Environmental effects on a conical intersection: A model study
Irene Burghardt, Lorenz S. Cederbaum and James T. Hynes,
Faraday Discuss., 2004, 127, 395
DOI: 10.1039/b315071b
Triatomic dissociative recombination theory: Jahn–Teller coupling among infinitely many Born–Oppenheimer surfaces
Viatcheslav Kokoouline and Chris H. Greene,
Faraday Discuss., 2004, 127, 413
DOI: 10.1039/b314659f
Extraordinary branching ratios in astrophysically important dissociative recombination reactions
Wolf D. Geppert, Richard Thomas, Anneli Ehlerding, Jacek Semaniak, Fabian Österdahl, Magnus af Ugglas, Nada Djuri
, András Paál and Mats Larsson,
Faraday Discuss., 2004, 127, 425
DOI: 10.1039/b314005a
Nonadiabatic coupling and vector correlation in dissociation of triatomic hydrogen
U. Galster, U. Müller, M. Jungen and H. Helm,
Faraday Discuss., 2004, 127, 439
DOI: 10.1039/b316385g
Discussion
General Discussion
Faraday Discuss., 2004, 127, 445
DOI: 10.1039/b407961m
Papers
Concluding remarks
Non-adiabatic effects in chemical dynamics
John C. Tully,
Faraday Discuss., 2004, 127, 463
DOI: 10.1039/b406773h
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