ISBN: 9780792335894
ID: 9780792335894
The reaction pathway (RP) technique is a powerful tool in theoretical chemistry and chemical reaction theory. The present book discusses the background of the concept, both mathematical and physical, and outlines new developments. Different approaches to the RP are described, with particular emphasis on gradient extremals and the treatment of zero eigenvalues of rotation in the Cartesian Hessian matrix along the RP. There is an excellent review of geometric optimization methods, together The reaction pathway (RP) technique is a powerful tool in theoretical chemistry and chemical reaction theory. The present book discusses the background of the concept, both mathematical and physical, and outlines new developments. Different approaches to the RP are described, with particular emphasis on gradient extremals and the treatment of zero eigenvalues of rotation in the Cartesian Hessian matrix along the RP. There is an excellent review of geometric optimization methods, together with an outline of density functional theory. Some contributions reveal the progress made in interface dynamics calculations based on RP potentials and tunnelling with electronic structure theory ('direct dynamics'). Includes the very latest results in excited-state RP calculations (H transfer) and a theoretical view of the RPs of photodissociation processes using time-resolved femtosecond spectroscopy. The passage from the RP to the reaction mechanism is described by means of fundamental groups and symmetry rules. Audience: Researchers in theoretical chemistry, molecular modeling, physical chemistry, kinetics, and the biosciences. Textbooks New, Books~~Science~~Chemistry~~Physical & Theoretical, Reaction-Path-in-Chemistry~~D-Heidrich, , , , , , , , , , Springer Netherlands
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1995, ISBN: 0792335899, Lieferbar binnen 4-6 Wochen
ID: 9780792335894
Internationaler Buchtitel. In englischer Sprache. Verlag: Springer-Verlag GmbH, HC runder Rücken kaschiert, 312 Seiten, L=235mm, B=155mm, H=21mm, Gew.=631gr, [GR: 16560 - HC/Physikalische Chemie], Gebunden, Klappentext: The reaction pathway (RP) technique is a powerful tool in theoretical chemistry and chemical reaction theory. The present book discusses the background of the concept, both mathematical and physical, and outlines new developments. Different approaches to the RP are described, with particular emphasis on gradient extremals and the treatment of zero eigenvalues of rotation in the Cartesian Hessian matrix along the RP. There is an excellent review of geometric optimization methods, together with an outline of density functional theory. Some contributions reveal the progress made in interface dynamics calculations based on RP potentials and tunnelling with electronic structure theory (`direct dynamics'). Includes the very latest results in excited-state RP calculations (H transfer) and a theoretical view of the RPs of photodissociation processes using time-resolved femtosecond spectroscopy. The passage from the RP to the reaction mechanism is described by means of fundamental groups and symmetry rules. Audience: Researchers in theoretical chemistry, molecular modeling, physical chemistry, kinetics, and the biosciences.
eurobuch.neubuch |
1995
ISBN: 0792335899
Lieferbar binnen 4-6 Wochen
ID: 9780792335894
Internationaler Buchtitel. In englischer Sprache. Verlag: Springer-Verlag GmbH, HC runder Rücken kaschiert, 312 Seiten, L=235mm, B=155mm, H=21mm, Gew.=631gr, [GR: 16560 - HC/Physikalische Chemie], Gebunden, Klappentext: The reaction pathway (RP) technique is a powerful tool in theoretical chemistry and chemical reaction theory. The present book discusses the background of the concept, both mathematical and physical, and outlines new developments. Different approaches to the RP are described, with particular emphasis on gradient extremals and the treatment of zero eigenvalues of rotation in the Cartesian Hessian matrix along the RP. There is an excellent review of geometric optimization methods, together with an outline of density functional theory. Some contributions reveal the progress made in interface dynamics calculations based on RP potentials and tunnelling with electronic structure theory (`direct dynamics'). Includes the very latest results in excited-state RP calculations (H transfer) and a theoretical view of the RPs of photodissociation processes using time-resolved femtosecond spectroscopy. The passage from the RP to the reaction mechanism is described by means of fundamental groups and symmetry rules. Audience: Researchers in theoretical chemistry, molecular modeling, physical chemistry, kinetics, and the biosciences.
eurobuch.neubuch |
The Reaction Path in Chemistry: Current Approaches and Perspectives (Understanding Chemical Reactivity) - hardcover
ISBN: 0792335899
Hardcover, [EAN: 9780792335894], Springer, Springer, Book, [PU: Springer], Springer, 369724011, Look Inside!, 405736, Special Features, 266239, Books, 125249031, General AAS, 278020, Physical Chemistry, 278004, Chemistry, 57, Science & Nature, 1025612, Subjects, 266239, Books, 125247031, General AAS, 278004, Chemistry, 57, Science & Nature, 1025612, Subjects, 266239, Books, 125228031, General AAS, 57, Science & Nature, 1025612, Subjects, 266239, Books, 564334, Scientific, Technical & Medical, 564336, Agriculture & Farming, 564338, Astronomy & Cosmology, 564340, Biology, 564342, Chemistry, 564344, Earth Sciences, 564346, Engineering, 570820, Environment, 564350, Geology, 564352, Mathematics, 564356, Medicine & Nursing, 564354, Physics, 564348, Research & Development, 564358, Veterinary Science, 125359031, General AAS, 1025612, Subjects, 266239, Books, 400530011, English, 400529011, Language (feature_browse-bin), 365481011, Refinements, 266239, Books, 492563011, Hardcover, 492562011, Format (binding_browse-bin), 365481011, Refinements, 266239, Books, 182018031, Regular Size, 182016031, Font Size (format_browse-bin), 365481011, Refinements, 266239, Books
Amazon.co.uk |
ISBN: 9780792335894
ID: e1368ebe81b8cc32b388a52e1ccfb6f8
1995, 312 Seiten, Maße: 15,5 x 23,5 cm, Gebunden, Englisch The reaction pathway (RP) technique is a powerful tool in theoretical chemistry and chemical reaction theory. The present book discusses the background of the concept, both mathematical and physical, and outlines new developments. Different approaches to the RP are described, with particular emphasis on gradient extremals and the treatment of zero eigenvalues of rotation in the Cartesian Hessian matrix along the RP. There is an excellent review of geometric optimization methods, together with an outline of density functional theory. Some contributions reveal the progress made in interface dynamics calculations based on RP potentials and tunnelling with electronic structure theory (`direct dynamics'). Includes the very latest results in excited-state RP calculations (H transfer) and a theoretical view of the RPs of photodissociation processes using time-resolved femtosecond spectroscopy. The passage from the RP to the reaction mechanism is described by means of fundamental groups and symmetry r Buch / Wissenschaft & Technik / Chemie, Springer
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Title: | The Reaction Path in Chemistry: Current Approaches and Perspectives |
ISBN: | 0792335899 |
Details of the book - The Reaction Path in Chemistry: Current Approaches and Perspectives
EAN (ISBN-13): 9780792335894
ISBN (ISBN-10): 0792335899
Hardcover
Publishing year: 1995
Publisher: Springer-Verlag GmbH
312 Pages
Weight: 0,631 kg
Language: eng/Englisch
Book in our database since 28.11.2007 18:37:07
Book found last time on 22.08.2015 18:57:35
ISBN/EAN: 0792335899
ISBN - alternate spelling:
0-7923-3589-9, 978-0-7923-3589-4
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