Conical Intersections - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Conical Intersections write by Wolfgang Domcke. This book was released on 2004. Conical Intersections available in PDF, EPUB and Kindle. It is widely recognized nowadays that conical intersections ofmolecular potential-energy surfaces play a key mechanistic role in thespectroscopy of polyatomic molecules, photochemistry and chemicalkinetics. This invaluable book presents a systematic exposition of thecurrent state of knowledge about conical intersections, which has beenelaborated in research papers scattered throughout the chemicalphysics literature.
Conical Intersections
Conical Intersections - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Conical Intersections write by Wolfgang Domcke. This book was released on 2011. Conical Intersections available in PDF, EPUB and Kindle. 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 [und weitere]. 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 [und weitere]. 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 [und weitere]. 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 [und weitere]. 18. Femtosecond pump-probe polarization spectroscopy of vibronic dynamics at conical intersections and funnels / W.K. Peters, E.R. Smith and D.M. Jonas
Conical Intersections: Electronic Structure, Dynamics & Spectroscopy
Conical Intersections: Electronic Structure, Dynamics & Spectroscopy - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Conical Intersections: Electronic Structure, Dynamics & Spectroscopy write by Wolfgang Domcke. This book was released on 2004-07-14. Conical Intersections: Electronic Structure, Dynamics & Spectroscopy available in PDF, EPUB and Kindle. It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.Section I of the book provides a comprehensive analysis of the electronic-structure aspects of conical intersections. Section II shows the importance of conical intersections in chemical reaction dynamics and gives an overview of the computational techniques employed to describe the dynamics at conical intersections. Finally, Section III deals with the role of conical intersections in the fields of molecular spectroscopy and laser control of chemical reaction dynamics.This book has been selected for coverage in:• CC / Physical, Chemical & Earth Sciences• Chemistry Citation Index(tm)• Index to Scientific Book Contents® (ISBC)
Conical Intersections in Photochemistry, Spectroscopy, and Chemical Dynamics
Conical Intersections in Photochemistry, Spectroscopy, and Chemical Dynamics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Conical Intersections in Photochemistry, Spectroscopy, and Chemical Dynamics write by Yehuda Haas. This book was released on 2000. Conical Intersections in Photochemistry, Spectroscopy, and Chemical Dynamics available in PDF, EPUB and Kindle.
Molecular Quantum Dynamics
Molecular Quantum Dynamics - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Quantum Dynamics write by Fabien Gatti. This book was released on 2014-04-09. Molecular Quantum Dynamics available in PDF, EPUB and Kindle. This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.
