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Conical Intersections: Theory, Computation and Experiment

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Description: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.Contents: "Fundamental Aspects and Electronic Structure: "Conical Intersections in Organic Photochemistry "(M A Robb)"Efficient Excited-State Deactivation in Organic Chromophores and Biologically Relevant Molecules: Role of Electron and Proton Transfer Processes "(A L Sobolewski and W Domcke)"Three-State Conical Intersections "(S Matsika)"Spin-Orbit Vibronic Coupling in Jahn Teller Systems "(L V Poluyanov and W Domcke)"Symmetry Analysis of Geometric-Phase Effects in Quantum Dynamics "(S C Althorpe)""Dynamics at Conical Intersections: "Conical Intersections in Electron Photodetachment Spectroscopy: Theory and Applications "(M S Schuurman and D R Yarkony)"Multistate Vibronic Dynamics and Multiple Conical Intersections "(S Faraji, S Gomez-Carrasco and H Koppel)"Conical Intersections Coupled to an Environment "(I Burghardt, K H Hughes, R Martinazzo, H Tamura, E Gindensperger, H Kooppel and L S Cederbaum)""Ab Initio" Multiple Spawning: First Principles Dynamics Around Conical Intersections "(S Yang and T J Martinez)"Non-Born Oppenheimer Molecular Dynamics for Conical Intersections, Avoided Crossings, and Weak Interactions "(A W Jasper & D G Truhlar)"Computational and Methodological Elements for Nonadiabatic Trajectory Dynamics Simulations of Molecules "(M Barbatti, R Shepard and H Lischka)"Nonadiabatic Trajectory Calculations with "Ab Initio" and Semiempirical Methods "(E Fabiano, Z Lan, Y Lu and W Thiel)"Multistate Nonadiabatic Dynamics On the Fly in Complex Systems and Its Control by Laser Fields "(R Mitri, J Petersen and V Bona i -Koutecky)"Laser Control of Ultrafast Dynamics at Conical Intersections "(Y Ohtsuki and W Domcke)""Experimental Detection of Dynamics at Conical Intersections: "Exploring Nuclear Motion Through Conical Intersections in the UV Photodissociation of Azoles, Phenols and Related Systems "(T A A Oliver, G A King, A G Sage and M N R Ashfold)"Interrogation of Nonadiabatic Molecular Dynamics via Time-Resolved Photoelectron Spectroscopy "(M S Schuurman and A Stolow)"Pump-Probe Spectroscopy of Ultrafast Vibronic Dynamics in Organic Chromophores "(N K Schwalb, R Siewertsen, F Renth and F Temps)"Femtosecond Pump-Probe Polarization Spectroscopy of Vibronic Dynamics at Conical Intersections and Funnels "(W K Peters, E R Smith and D M Jonas)"Readership: Advanced students and researchers in photochemistry, molecular spectroscopy and related areas.We have made it easy for you to find a PDF Ebooks without any digging. And by having access to our ebooks online or by storing it on your computer, you have convenient answers with Conical Intersections: Theory, Computation and Experiment. To get started finding Conical Intersections: Theory, Computation and Experiment, you are right to find our website which has a comprehensive collection of manuals listed.
Our library is the biggest of these that have literally hundreds of thousands of different products represented.

Pages: 769

Format: PDF, EPUB & Kindle Edition

Publisher: World Scientific Publishing Company

Release: 2013

ISBN: 1299672132

Description: 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.Contents: "Fundamental Aspects and Electronic Structure: "Conical Intersections in Organic Photochemistry "(M A Robb)"Efficient Excited-State Deactivation in Organic Chromophores and Biologically Relevant Molecules: Role of Electron and Proton Transfer Processes "(A L Sobolewski and W Domcke)"Three-State Conical Intersections "(S Matsika)"Spin-Orbit Vibronic Coupling in Jahn Teller Systems "(L V Poluyanov and W Domcke)"Symmetry Analysis of Geometric-Phase Effects in Quantum Dynamics "(S C Althorpe)""Dynamics at Conical Intersections: "Conical Intersections in Electron Photodetachment Spectroscopy: Theory and Applications "(M S Schuurman and D R Yarkony)"Multistate Vibronic Dynamics and Multiple Conical Intersections "(S Faraji, S Gomez-Carrasco and H Koppel)"Conical Intersections Coupled to an Environment "(I Burghardt, K H Hughes, R Martinazzo, H Tamura, E Gindensperger, H Kooppel and L S Cederbaum)""Ab Initio" Multiple Spawning: First Principles Dynamics Around Conical Intersections "(S Yang and T J Martinez)"Non-Born Oppenheimer Molecular Dynamics for Conical Intersections, Avoided Crossings, and Weak Interactions "(A W Jasper & D G Truhlar)"Computational and Methodological Elements for Nonadiabatic Trajectory Dynamics Simulations of Molecules "(M Barbatti, R Shepard and H Lischka)"Nonadiabatic Trajectory Calculations with "Ab Initio" and Semiempirical Methods "(E Fabiano, Z Lan, Y Lu and W Thiel)"Multistate Nonadiabatic Dynamics On the Fly in Complex Systems and Its Control by Laser Fields "(R Mitri, J Petersen and V Bona i -Koutecky)"Laser Control of Ultrafast Dynamics at Conical Intersections "(Y Ohtsuki and W Domcke)""Experimental Detection of Dynamics at Conical Intersections: "Exploring Nuclear Motion Through Conical Intersections in the UV Photodissociation of Azoles, Phenols and Related Systems "(T A A Oliver, G A King, A G Sage and M N R Ashfold)"Interrogation of Nonadiabatic Molecular Dynamics via Time-Resolved Photoelectron Spectroscopy "(M S Schuurman and A Stolow)"Pump-Probe Spectroscopy of Ultrafast Vibronic Dynamics in Organic Chromophores "(N K Schwalb, R Siewertsen, F Renth and F Temps)"Femtosecond Pump-Probe Polarization Spectroscopy of Vibronic Dynamics at Conical Intersections and Funnels "(W K Peters, E R Smith and D M Jonas)"Readership: Advanced students and researchers in photochemistry, molecular spectroscopy and related areas.We have made it easy for you to find a PDF Ebooks without any digging. And by having access to our ebooks online or by storing it on your computer, you have convenient answers with Conical Intersections: Theory, Computation and Experiment. To get started finding Conical Intersections: Theory, Computation and Experiment, you are right to find our website which has a comprehensive collection of manuals listed.
Our library is the biggest of these that have literally hundreds of thousands of different products represented.

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Conical Intersections: Theory, Computation and Experiment

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