The Resource Conical intersections : theory, computation and experiment, editors, Wolfgang Domcke, David R. Yarkony, Horst Koppel, (electronic resource)

Conical intersections : theory, computation and experiment, editors, Wolfgang Domcke, David R. Yarkony, Horst Koppel, (electronic resource)

Label
Conical intersections : theory, computation and experiment
Title
Conical intersections
Title remainder
theory, computation and experiment
Statement of responsibility
editors, Wolfgang Domcke, David R. Yarkony, Horst Koppel
Contributor
Subject
Language
eng
Summary
The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electronic energy surfaces, predicted by von Neumann and Wigner in 1929, are the rule rather than the exception in polyatomic molecules. It is nowadays increasingly recognized that conical intersections play a key mechanistic role in chemical reaction dynamics. This volume provides an up-to-date overview of the multi-faceted research on the role of conical intersections in photochemistry and photobiology, including basic theoretical concepts, novel computational strategies as well as innovative experiments. The contents and discussions will be of value to advanced students and researchers in photochemistry, molecular spectroscopy and related areas
Member of
Additional physical form
Also available via the World Wide Web
Cataloging source
WSPC
Dewey number
535.84
Illustrations
illustrations
Index
index present
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
Series statement
Advanced series in physical chemistry
Series volume
v. 17
Label
Conical intersections : theory, computation and experiment, editors, Wolfgang Domcke, David R. Yarkony, Horst Koppel, (electronic resource)
Publication
Bibliography note
Includes bibliographical references and index
http://library.link/vocab/branchCode
  • net
Color
multicolored
Contents
pt. I. Fundamental aspects and electronic structure. 1. Conical intersections in organic photochemistry / M. A. Robb. 2. Efficient excited-state deactivation in organic chromophores and biologically relevant molecules: role of electron and proton transfer processes / A. L. Sobolewski and W. Domcke. 3. Three-state conical intersections / S. Matsika. 4. Spin-orbit vibronic coupling in Jahn-Teller systems / L. V. Poluyanov and W. Domcke. 5. Symmetry analysis of geometric-phase effects in quantum dynamics / S. C. Althorpe -- pt. II. Dynamics at conical intersections. 6. Conical intersections in electron photodetachment spectroscopy: theory and applications / M. S. Schuurman and D. R. Yarkony. 7. Multistate vibronic dynamics and multiple conical intersections / S. Faraji, S. Gomez-Carrasco and H. Koppel. 8. Conical intersections coupled to an environment / I. Burghardt ... [et al.]. 9. Ab initio multiple spawning: first principles dynamics around conical intersections / S. Yang and T. J. Martinez. 10. Non-Born-Oppenheimer molecular dynamics for conical intersections, avoided crossings, and weak interactions / A. W. Jasper and D. G. Truhlar. 11. Computational and methodological elements for nonadiabatic trajectory dynamics simulations of molecules / M. Barbatti, R. Shepard and H. Lischka. 12. Nonadiabatic trajectory calculations with ab initio and semiempirical methods / E. Fabiano ... [et al.]. 13. Multistate nonadiabatic dynamics "on the fly" in complex systems and its control by laser fields / R. Mitric, J. Petersen and V. Bonacic-Koutecky. 14. Laser control of ultrafast dynamics at conical intersections / Y. Ohtsuki and W. Domcke -- pt. III. Experimental detection of dynamics at conical intersections. 15. Exploring nuclear motion through conical intersections in the UV photodissociation of azoles, phenols and related systems / T. A. A. Oliver ... [et al.]. 16. Interrogation of nonadiabatic molecular dynamics via time-resolved photoelectron spectroscopy / M. S. Schuurman and A. Stolow. 17. Pump-probe spectroscopy of ultrafast vibronic dynamics in organic chromophores / N. K. Schwalb ... [et al.]. 18. Femtosecond pump-probe polarization spectroscopy of vibronic dynamics at conical intersections and funnels / W. K. Peters, E. R. Smith and D. M. Jonas
Control code
000049007352
Dimensions
other
Extent
1 online resource (xiii, 754 p.)
File format
unknown
Form of item
electronic
Isbn
9789814313445
Other physical details
ill. (some col.)
Quality assurance targets
unknown
http://library.link/vocab/recordID
.b26848673
Sound
unknown sound
Specific material designation
remote
System control number
  • (OCoLC)775658757
  • ws9814313440
System details
  • Mode of access: World Wide Web
  • System requirements: Internet connectivity, World Wide Web browser, and Adobe Acrobat

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