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The Reaction Path in Chemistry: Current Approaches and Perspectives
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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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The Reaction Path in Chemistry: Current Approaches and Perspectives
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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.

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The Reaction Path in Chemistry: Current Approaches and Perspectives
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
The Reaction Path in Chemistry: Current Approaches and Perspectives - gebunden oder broschiert

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.

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The Reaction Path in Chemistry: Current Approaches and Perspectives (Understanding Chemical Reactivity) - D. Heidrich
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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

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The Reaction Path in Chemistry: Current Approaches and Perspectives
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ISBN: 9780792335894

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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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The Reaction Path in Chemistry: Current Approaches and Perspectives
Autor:

D. Heidrich

Titel:

The Reaction Path in Chemistry: Current Approaches and Perspectives

ISBN-Nummer:

0792335899

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.

Detailangaben zum Buch - The Reaction Path in Chemistry: Current Approaches and Perspectives


EAN (ISBN-13): 9780792335894
ISBN (ISBN-10): 0792335899
Gebundene Ausgabe
Erscheinungsjahr: 1995
Herausgeber: Springer-Verlag GmbH
312 Seiten
Gewicht: 0,631 kg
Sprache: eng/Englisch

Buch in der Datenbank seit 28.11.2007 18:37:07
Buch zuletzt gefunden am 22.08.2015 18:57:35
ISBN/EAN: 0792335899

ISBN - alternative Schreibweisen:
0-7923-3589-9, 978-0-7923-3589-4

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