Artículos relacionados a Computational Methods in Chemistry (The IBM Research...

Computational Methods in Chemistry (The IBM Research Symposia Series) - Tapa dura

 
9780306404559: Computational Methods in Chemistry (The IBM Research Symposia Series)

Sinopsis

The papers collected in this volume were presented at an international symposium on Computational Methods in Chemistry. This symposium was sponsored by IBM Germany and was held September 17-19, 1979, in Bad Neuenahr, West Germany. According to Graham Richards [Nature 278, 507 (1979)] the "Third Age of Quantum Chemistry" has started-;-where the results of quantum chemical calculations have become so accurate and reliable that they can guide the experimentalists in their search for the unknown. The particular example highlighted by Richards was the suc­ cessful prediction and subsequent identification of the relative energies, transition probabilities and geometries of the lowest triplet states of acetylene. The theoretical predictions were based chiefly upon the work of three groups: Kammer [Chern. Phys. Lett. ~, 529 (1970)] had made qualitatively correct predictions; Demoulin [Chern. Phys. 11, 329 (1975)] had calculated the potential energy curves for the two lowest triplet states (3 and 3 ) of B A acetylene; and Wetmore and Schaefer III [J. Chern. Phys. ~~ 1648 (1978)] had determined the geometries of the cis (3B and ~A ) and the trans (3B and 3A ) isomers of these two sta~es. Inua 2 2 guided search, Wendt, Hunziker and Hippler [J. Chern. PHys. 70, 4044 (1979)] succeeded in finding the predicted near infrared absorption of the cis triplet acetylene (no corresponding absorp­ tion for the trans form was found, which is in agreement with theory), and the resolved structure of the spectrum confirmed the predicted geometries conclusively.

"Sinopsis" puede pertenecer a otra edición de este libro.

Reseña del editor

The papers collected in this volume were presented at an international symposium on Computational Methods in Chemistry. This symposium was sponsored by IBM Germany and was held September 17-19, 1979, in Bad Neuenahr, West Germany. According to Graham Richards [Nature 278, 507 (1979)] the "Third Age of Quantum Chemistry" has started-;-where the results of quantum chemical calculations have become so accurate and reliable that they can guide the experimentalists in their search for the unknown. The particular example highlighted by Richards was the suc­ cessful prediction and subsequent identification of the relative energies, transition probabilities and geometries of the lowest triplet states of acetylene. The theoretical predictions were based chiefly upon the work of three groups: Kammer [Chern. Phys. Lett. ~, 529 (1970)] had made qualitatively correct predictions; Demoulin [Chern. Phys. 11, 329 (1975)] had calculated the potential energy curves for the two lowest triplet states (3 and 3 ) of B A acetylene; and Wetmore and Schaefer III [J. Chern. Phys. ~~ 1648 (1978)] had determined the geometries of the cis (3B and ~A ) and the trans (3B and 3A ) isomers of these two sta~es. Inua 2 2 guided search, Wendt, Hunziker and Hippler [J. Chern. PHys. 70, 4044 (1979)] succeeded in finding the predicted near infrared absorption of the cis triplet acetylene (no corresponding absorp­ tion for the trans form was found, which is in agreement with theory), and the resolved structure of the spectrum confirmed the predicted geometries conclusively.

"Sobre este título" puede pertenecer a otra edición de este libro.

  • EditorialKluwer Academic/Plenum Publishers
  • Año de publicación1980
  • ISBN 10 0306404559
  • ISBN 13 9780306404559
  • EncuadernaciónTapa dura
  • IdiomaInglés
  • Número de páginas331
  • Contacto del fabricanteno disponible

Comprar usado

VIII, 331 Seiten mit zahlreichen...
Ver este artículo

EUR 9,50 gastos de envío desde Alemania a España

Destinos, gastos y plazos de envío

Otras ediciones populares con el mismo título

9781468437300: Computational Methods in Chemistry (The IBM Research Symposia Series)

Edición Destacada

ISBN 10:  1468437305 ISBN 13:  9781468437300
Editorial: Springer, 2013
Tapa blanda

Resultados de la búsqueda para Computational Methods in Chemistry (The IBM Research...

Imagen del vendedor

Bargon, Joachim:
Publicado por Plenum Press, New York and London, 1980
ISBN 10: 0306404559 ISBN 13: 9780306404559
Antiguo o usado Tapa dura

Librería: Antiquariat Silvanus - Inhaber Johannes Schaefer, Ahrbrück, Alemania

Calificación del vendedor: 5 de 5 estrellas Valoración 5 estrellas, Más información sobre las valoraciones de los vendedores

VIII, 331 Seiten mit zahlreichen Abbildungen, 0306404559 Sprache: Englisch Gewicht in Gramm: 740 Groß 8°, Original-Pappband (Hardcover) mit Original-Schutzumschlag, dieser stäerker angerändert, Bibliotheks-Exemplar mit Rückenschild, Stempel auf Vorsatz, Titel, Schnitt und innen, insgesamt gutes und innen sauberes Exemplar, (library copy in good condition), Nº de ref. del artículo: 57703

Contactar al vendedor

Comprar usado

EUR 18,00
Convertir moneda
Gastos de envío: EUR 9,50
De Alemania a España
Destinos, gastos y plazos de envío

Cantidad disponible: 1 disponibles

Añadir al carrito

Imagen de archivo

Joachim Bargon (Editor)
ISBN 10: 0306404559 ISBN 13: 9780306404559
Antiguo o usado Tapa dura

Librería: Canal Bookyard, Upper Black Eddy, PA, Estados Unidos de America

Calificación del vendedor: 5 de 5 estrellas Valoración 5 estrellas, Más información sobre las valoraciones de los vendedores

Hardcover. Condición: Good. Estado de la sobrecubierta: Good. Hard Cover. Good/Good. Ex-Library. 4to - over 9¾" - 12" tall. ISBN:0-306-40455-9. Gold titles on blue covers, 331 pages including index. Part of the IBM Research Symposia Series. Contributors include J. T. Clerc, H. Konitzer, G. Binsch, B. Schrader, D. Bougeard, W. Niggemann, W. von Niessen, L. S. Cederbaum, W. Domcke, J. Shirmer, P. Bishof, W. Meyer, S. D. Peyerimhoff, P. S. Bagus, M. Yoshimine, I. Ugi, and W. A. Lester, Jr. Nº de ref. del artículo: 001827

Contactar al vendedor

Comprar usado

EUR 9,09
Convertir moneda
Gastos de envío: EUR 24,70
De Estados Unidos de America a España
Destinos, gastos y plazos de envío

Cantidad disponible: 1 disponibles

Añadir al carrito