Discussion summary and research papers, in physical chemistry, chemical physics and biophysical chemistry.
Latest News
Submit abstracts and register for ISACS now
01 December 2009
Poster abstract submission and online registration now open for 2010 ISACS conferences
First Polymer Chemistry articles published
25 November 2009
Read the first six articles for new journal Polymer Chemistry free online
Full details, including information on submitting an abstract, registration and the scientific programme for forthcoming discussions
Browse an index of previous Faraday Discussions, dating back to 1960
Purchasing an Individual Volume
Purchase a recent Faraday Discussion as an individual volume
Contents list for Faraday Discussions, volume 145, 2010
Front cover
Faraday Discuss., 2010, 145, 1
DOI: 10.1039/b927253b
Contents
Faraday Discuss., 2010, 145, 3
DOI: 10.1039/b927250j
Papers
Spiers Memorial Lecture
Interplay of theory and computation in chemistry—examples from on-water organic catalysis, enzyme catalysis, and single-molecule fluctuations
R. A. Marcus,
Faraday Discuss., 2010, 145, 9
DOI: 10.1039/b920917b
The kinetics and mechanisms of organic reactions in liquid ammonia
Pengju Ji, John H. Atherton and Michael I. Page,
Faraday Discuss., 2010, 145, 15
DOI: 10.1039/b912261n
Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis
Julian Eastoe, Ian J. S. Fairlamb, Jesús M. Fernández-Hernández, Emane Filali, John C. Jeffery, Guy C. Lloyd-Jones, Aina Martorell, Antony Meadowcroft, Per-Ola Norrby, Thomas Riis-Johannessen, David A. Sale and Paula M. Tomlin,
Faraday Discuss., 2010, 145, 27
DOI: 10.1039/b910022a
Valence bond modelling and density functional theory calculations of reactivity and mechanism of cytochrome P450 enzymes: thioether sulfoxidation
Sason Shaik, Yong Wang, Hui Chen, Jinshuai Song and Rinat Meir,
Faraday Discuss., 2010, 145, 49
DOI: 10.1039/b906094d
The EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactions
Shina C. L. Kamerlin and Arieh Warshel,
Faraday Discuss., 2010, 145, 71
DOI: 10.1039/b907354j
On the catalytic role of structural fluctuations in enzyme reactions: computational evidence on the formation of compound 0 in horseradish peroxidase
Costantino Zazza, Amedeo Palma, Andrea Amadei, Nico Sanna, Simone Tatoli and Massimiliano Aschi,
Faraday Discuss., 2010, 145, 107
DOI: 10.1039/b906614d
Discussion
General discussion
Faraday Discuss., 2010, 145, 121
DOI: 10.1039/b921484b
Papers
Methylene-transfer reactions of benzylium/tropylium ions with neutral toluene studied by means of ion-trap mass spectrometry
Emilie-Laure Zins, Claude Pepe and Detlef Schröder,
Faraday Discuss., 2010, 145, 157
DOI: 10.1039/b907236e
Ultrafast time-resolved transient infrared and resonance Raman spectroscopic study of the photo-deprotection and rearrangement reactions of p-hydroxyphenacyl caged phosphates
Qian Cao, Xiangguo Guan, Michael W. George, David Lee Phillips, Chensheng Ma, Wai Ming Kwok, Mingde Li, Yong Du, Xue-Zhong Sun and Jiadan Xue,
Faraday Discuss., 2010, 145, 171
DOI: 10.1039/b908188g
Ultrafast reaction dynamics in nanoscale water droplets confined by ionic surfactants
Minako Kondo, Ismael A. Heisler and Stephen R. Meech,
Faraday Discuss., 2010, 145, 185
DOI: 10.1039/b906035a
New host–guest chemistry of supramolecular nanotubes
Emiliano Tamanini, Nandhini Ponnuswamy, G. Dan Panto
and Jeremy K. M. Sanders,
Faraday Discuss., 2010, 145, 205
DOI: 10.1039/b907538k
The effect of multivalent binding on the lateral phase separation of adhesive lipids
Kwan Ping Liem, Gavin T. Noble, Sabine L. Flitsch and Simon J. Webb,
Faraday Discuss., 2010, 145, 219
DOI: 10.1039/b907114h
Designing instructable networks using synthetic replicators
Eleftherios Kassianidis, Russell J. Pearson, Evan A. Wood and Douglas Philp,
Faraday Discuss., 2010, 145, 235
DOI: 10.1039/b915061g
Discussion
General discussion
Faraday Discuss., 2010, 145, 255
DOI: 10.1039/b921489p
Papers
Phosphate ester analogues as probes for understanding enzyme catalysed phosphoryl transfer
Abdulfattah Alkherraz, Shina C. L. Kamerlin, Guoqiang Feng, Qaiser I. Sheikh, Arieh Warshel and Nicholas H. Williams,
Faraday Discuss., 2010, 145, 281
DOI: 10.1039/b908398g
Radicals in enzymatic catalysis—a thermodynamic perspective
Johnny Hioe and Hendrik Zipse,
Faraday Discuss., 2010, 145, 301
DOI: 10.1039/b907121k
The application of No Barrier Theory to the aldol addition reaction
J. Peter Guthrie, Alexander R. Bannister and Sriyawathie Peiris,
Faraday Discuss., 2010, 145, 315
DOI: 10.1039/b906718c
Dynamic path bifurcation for the Beckmann reaction: observation and implication
Hiroshi Yamataka, Makoto Sato, Hiroto Hasegawa and Salai C. Ammal,
Faraday Discuss., 2010, 145, 327
DOI: 10.1039/b906159b
Oxidation of alcohols using supported gold and gold–palladium nanoparticles
Sankar Meenakshisundaram, Ewa Nowicka, Peter J. Miedziak, Gemma L. Brett, Robert L. Jenkins, Nikolaos Dimitratos, Stuart H. Taylor, David W. Knight, Donald Bethell and Graham J. Hutchings,
Faraday Discuss., 2010, 145, 341
DOI: 10.1039/b908172k
Structure and dynamics of phospholipid bilayer films under electrochemical control
A. Robert Hillman, Karl S. Ryder, Elena Madrid, Andrew W. Burley, Richard J. Wiltshire, James Merotra, Michaela Grau, Sarah L. Horswell, Andrew Glidle, Robert M. Dalgliesh, Arwel Hughes, Robert Cubitt and Andrew Wildes,
Faraday Discuss., 2010, 145, 357
DOI: 10.1039/b911246b
Discussion
General discussion
Faraday Discuss., 2010, 145, 381
DOI: 10.1039/b921490a
Papers
Ultrafast dynamics of malachite green at the air/water interface studied by femtosecond time-resolved electronic sum frequency generation (TR-ESFG): an indicator for local viscosity
Pratik Sen, Shoichi Yamaguchi and Tahei Tahara,
Faraday Discuss., 2010, 145, 411
DOI: 10.1039/b908097j
Probing the effect of the solution environment on the vibrational dynamics of an enzyme model system with ultrafast 2D-IR spectroscopy
G. M. Bonner, A. R. Ridley, S. K. Ibrahim, C. J. Pickett and N. T. Hunt,
Faraday Discuss., 2010, 145, 429
DOI: 10.1039/b906163k
Understanding solvent effects on structure and reactivity of organic intermediates: a Raman study
G. Balakrishnan, S. K. Sahoo, B. K. Chowdhury and Siva Umapathy,
Faraday Discuss., 2010, 145, 443
DOI: 10.1039/b908146a
Entropic trends in aqueous solutions of the common functional groups
Sheeba Jem Irudayam, Richard D. Plumb and Richard H. Henchman,
Faraday Discuss., 2010, 145, 467
DOI: 10.1039/b907383c
Ab initio transition state theory for polar reactions in solution
Jeremy N. Harvey,
Faraday Discuss., 2010, 145, 487
DOI: 10.1039/b907340j
Electronic structures of [n]-cyclacenes (n = 6–12) and short, hydrogen-capped, carbon nanotubes
Daniel Sadowsky, Kristopher McNeill and Christopher J. Cramer,
Faraday Discuss., 2010, 145, 507
DOI: 10.1039/b906882a
Discussion
General discussion
Faraday Discuss., 2010, 145, 523
DOI: 10.1039/b921493n
Papers
Concluding remarks
Josef Michl,
Faraday Discuss., 2010, 145, 557
DOI: 10.1039/b923060m
Poster titles
Faraday Discuss., 2010, 145, 563
DOI: 10.1039/b922736a
List of participants
Faraday Discuss., 2010, 145, 567
DOI: 10.1039/b927251h
Index of contributors
Faraday Discuss., 2010, 145, 569
DOI: 10.1039/b927252f
Back cover
Faraday Discuss., 2010, 145, 571
DOI: 10.1039/b927254m
RSS feed
