Frontiers in physical organic chemistry: University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Cambridge
RSC Publ.
2010
|
| Schriftenreihe: | Faraday discussions
145 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | 570 S. Ill., graph. Darst. |
| ISBN: | 9781847550408 |
Internformat
MARC
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Datensatz im Suchindex
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|---|---|
| adam_text | CONTENTS
Cover ■
See Yamataka et
al., Faraday
Discuss.,
2010,
145, 327-340.
Schematic potential energy
Frontiers in Physical Organic map for the
Beckmann
reaction, and
Chemistry bifurcating dynamic reaction path from the
TS toward the two product states.
Image reproduced by permission of Professor
Dr Horishima
Yamataka, from Faraday
Discuss.,
2010, 145,327.
INTRODUCTORY LECTURE
9
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
PAPERS AND DISCUSSIONS
15
The kinetics and mechanisms of organic reactions in liquid ammonia
Pengju Ji, John H. Atherton and Michael I. Page
27
Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis
Julian Eastoe, Ian J. S. Fairlamb,
Jesús
M.
Fernández-Hernández, Emane
Filali,
John
С.
Jeffery, Guy
С.
Lloyd-Jones,
Aina Martorell,
Antony Meadowcroft,
Per-Ola Norrby, Thomas Riis-Johannessen,
David A. Saie
and Paula M. TomJin
This
journal is
©
The
Royal Society
of Chemistry
2010
Faraday Discuss.,
2010,145
j
5
49
Valence
bond modelling and density functional theory calculations of reactivity and mechanism
of cytochrome
Ρ
450
enzymes: thioether sulfoxidation
Sason
Shaik, Yong Wang,
Hui
Chen, Jinshuai Song and Rinat Meir
71
The EVB as a quantitative tool for formulating simulations and analyzing biological and
chemical reactions
Shina
C. L.
Kamerun
and
Arieti
Warshei
107
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
Amadéi,
Nico
Sanna,
Simone Tatoli
and
Massimiliano
Aschi
121
General
discussion
157
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
171
Ultrafast time-resolved transient infrared and resonance Raman
spectroscopie
study of the
photo-deprotection and rearrangement reactions of /»-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
185
Ultrafast reaction dynamics in nanoscale water droplets confined by ionic surfactants
Minako Kondo,
Ismael
A. Heisler and Stephen R. Meech
205
New host—guest chemistry of supramolecular nanotubes
Emiliano
Tamanini, Nandhini Ponnuswamy, G. Dan Pantos and Jeremy K. M. Sanders
219
The effect of
multi
valent
binding on the lateral phase separation of adhesive lipids
Kwan Ping
Liem,
Gavin T. Noble,
Sabine
L.
Flitsch and Simon J. Webb
235
Designing instructable networks using synthetic replicators
Eleftherios Kassianidis, Russell J. Pearson, Evan A. Wood and Douglas Philp
255
General discussion
281
Phosphate ester analogues as probes for understanding enzyme catalysed phosphoryl transfer
Abdulfattah Alkherraz, Shina
C. L.
Kamerun, Guoqiang
Feng, Qaiser I. Sheikh,
Arieti
Warshel and Nicholas H. Williams
301
Radicals in enzymatic catalysis
—
a thermodynamic perspective
Johnny Hioe and
Hendrik
Zipse
315
The application of No Barrier Theory to the aldol addition reaction
J. Peter Guthrie, Alexander R. Bannister and Sriyawathie Peiris
327
Dynamic path bifurcation for the
Beckmann
reaction: observation and implication
Hiroshi Yamataka, Makoto Sato, Hiroto Hasegawa and
Salai
C. Ammat
341
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
357
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
6
| Faraday Discuss.,
2010, 145
This journal is
©
The Royal Society of Chemistry
2010
381
General
discussion
411
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
429
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
443
Understanding solvent effects on structure and reactivity of organic intermediates:
a Raman study
G. Balakrishnan, S. K. Sahoo, B. K. Chowdhury and Siva Umapathy
467 Entropie
trends in aqueous solutions of the common functional groups
Sheeba Jem Irudayam, Richard D. Plumb and Richard H. Henchman
487 Ab
initia
transition state theory for polar reactions in solution
Jeremy
N.
Harvey
507
Electronic structures of [nj-cyclacenes
(л
= 6-12)
and short, hydrogen-capped,
carbon nanotubes
Daniel Sadowsky, Rristopher McNeill and Christopher J. Cramer
523
General discussion
CONCLUDING REMARKS
557
Concluding remarks
Josef
Michl
ADDITIONAL INFORMATION
563
Poster titles
567
List of participants
569
Index of contributors
This journal is
©
The Royal Society of Chemistry
2010
Faraday Discuss.,
2010, 145
|
7
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| genre_facet | Konferenzschrift 2009 Cardiff |
| id | DE-604.BV036054566 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T22:10:24Z |
| institution | BVB |
| isbn | 9781847550408 |
| language | English |
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| series | Faraday discussions |
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| spelling | Frontiers in physical organic chemistry University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 [ed.: Philip Earis] Cambridge RSC Publ. 2010 570 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Faraday discussions 145 Organische Chemie (DE-588)4043793-0 gnd rswk-swf Physikalische Chemie (DE-588)4045959-7 gnd rswk-swf (DE-588)1071861417 Konferenzschrift 2009 Cardiff gnd-content Organische Chemie (DE-588)4043793-0 s Physikalische Chemie (DE-588)4045959-7 s DE-604 Earis, Philip Sonstige oth Faraday discussions 145 (DE-604)BV009531045 145 Digitalisierung UB Regensburg application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018946173&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Frontiers in physical organic chemistry University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 Faraday discussions Organische Chemie (DE-588)4043793-0 gnd Physikalische Chemie (DE-588)4045959-7 gnd |
| subject_GND | (DE-588)4043793-0 (DE-588)4045959-7 (DE-588)1071861417 |
| title | Frontiers in physical organic chemistry University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 |
| title_auth | Frontiers in physical organic chemistry University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 |
| title_exact_search | Frontiers in physical organic chemistry University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 |
| title_full | Frontiers in physical organic chemistry University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 [ed.: Philip Earis] |
| title_fullStr | Frontiers in physical organic chemistry University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 [ed.: Philip Earis] |
| title_full_unstemmed | Frontiers in physical organic chemistry University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 [ed.: Philip Earis] |
| title_short | Frontiers in physical organic chemistry |
| title_sort | frontiers in physical organic chemistry university of wales institute cardiff uwic uk 2 4 september 2009 |
| title_sub | University of Wales Institute, Cardiff (UWIC), UK, 2 - 4 September 2009 |
| topic | Organische Chemie (DE-588)4043793-0 gnd Physikalische Chemie (DE-588)4045959-7 gnd |
| topic_facet | Organische Chemie Physikalische Chemie Konferenzschrift 2009 Cardiff |
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