Temporally and spatially resolved molecular science : Indian Institute of Science, Bangalore, India, 12-14 January 2015
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書誌事項
Temporally and spatially resolved molecular science : Indian Institute of Science, Bangalore, India, 12-14 January 2015
（Faraday discussions, v. 177）
Royal Society of Chemistry, 2015
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注記
"A General Discussion on Temporally and Spatially Resolved Molecular Science was held in Bangalore, India on the 12th, 13th and 14th of January 2015."--P. 5
Includes bibliographical references
内容説明・目次
内容説明
Recently crystallography and spectroscopy have reached a level of experimental sophistication and theoretical and computational advancements such that it is possible to understand the structure of even the most complex molecular systems, such as, proteins. The modern generation of synchrotrons and the powerful free electron lasers (X-FEL) offer new opportunities and exciting challenges in structural science, but they will require a coordinated approach of complementary methods if they are to achieve maximum impact. Researchers are constantly improving technical and computational methods to accelerate and automate characterisation processes and this is crucial to the fields to be explored in this book. Bringing together world experts in computational, crystallographic, spectroscopic, chemical, biological and numerous characterisation methods, this title will promote new interdisciplinary research and complementary approaches and techniques in the rapidly emerging areas of 'time resolved studies', leading to a greater overall understanding of structural dynamics.
目次
Spatial resolution in Raman spectroscopy
Breaking of a bond: when is it statistical?
Negative hyperconjugation and red-, blue- or zero-shift in X–Z/Y complexes
Dynamics of the chemical bond: inter- and intra-molecular hydrogen bond
Vibrational dynamics of the CO stretching of 9-fluorenone studied by visible-pump and infrared-probe spectroscopy
Dynamical, spectroscopic and computational imaging of bond breaking in photodissociation: roaming and role of conical intersections
The free-energy barrier to hydride transfer across a dipalladium complex
Excited state dynamics of organic semi-conducting materials
Dynamics of chemical bond: general discussion
Pluronic copolymer encapsulated SCR7 as a potential anticancer agent
The effect on structural and solvent water molecules of substrate binding to ferric horseradish peroxidase
Electronic excitations in molecular solids: bridging theory and experiment
Resolution enhancement through microscopic spatiotemporal control
On the photophysics of butadiyne bridged pyrene–phenyl molecular conjugates: multiple emissive pathways through locally excited, intramolecular charge transfer and excimer states
Time resolved in situ X-ray diffraction study of crystallisation processes of large pore nanoporous aluminophosphate materials
In situ characterization of Cu–Co oxides for catalytic application
Time and Space resolved Methods: general discussion
Electron transfer quenching in light adapted and mutant forms of the AppA BLUF Domain
Spatio-temporal correlations in aqueous systems: computational studies of static and dynamic heterogeneity by 2D-IR spectroscopy
Vibronic structure in the far-UV electronic circular dichroism spectra of proteins
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations
Out-of-equilibrium dynamics of photoexcited spin-state concentration waves
Local and Global Dynamics: general discussion
Probing electronic and vibrational dynamics in molecules by time-resolved photoelectron, Auger-electron, and X-ray photon scattering spectroscopy
X-ray diffraction in temporally and spatially resolved biomolecular science
Disentangling detector data in XFEL studies of temporally resolved solution state chemistry
Mapping atomic motions with ultrabright electrons: towards fundamental limits in space-time resolution
Two-dimensional sum-frequency generation (2D SFG) spectroscopy: summary of principles and its application to amyloid fiber monolayers
Phase modulation nanoscopy: a simple approach to enhanced optical resolution
Future challenges: general discussion
Spatio-temporal resolution of primary processes of photosynthesis
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