Synopsis
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.
Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.
Autres éditions populaires du même titre
Résultats de recherche pour Computational Methods in Chemistry
Image d'archives
Computational Methods in Chemistry (The IBM Research Symposia Series)
Vendeur : Lucky's Textbooks, Dallas, TX, Etats-Unis
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. N° de réf. du vendeur ABLIING23Mar2716030068563
Acheter neuf
EUR 52,88
Frais de port :
EUR 3,44
Vers Etats-Unis
Quantité disponible : Plus de 20 disponibles
Image d'archives
Computational Methods in Chemistry (The IBM Research Symposia Series)
Vendeur : Ria Christie Collections, Uxbridge, Royaume-Uni
Évaluation du vendeur 5 sur 5 étoiles
Etat : New. In. N° de réf. du vendeur ria9781468437300_new
Acheter neuf
EUR 57,78
Frais de port :
EUR 13,68
De Royaume-Uni vers Etats-Unis
Quantité disponible : Plus de 20 disponibles
Image d'archives
Computational Methods in Chemistry (The IBM Research Symposia Series)
Vendeur : Chiron Media, Wallingford, Royaume-Uni
Évaluation du vendeur 4 sur 5 étoiles
Paperback. Etat : New. N° de réf. du vendeur 6666-IUK-9781468437300
Acheter neuf
EUR 56,22
Frais de port :
EUR 17,69
De Royaume-Uni vers Etats-Unis
Quantité disponible : 10 disponible(s)
Image fournie par le vendeur
Computational Methods in Chemistry
Edité par
Springer US, Chapman And Hall/CRC Apr 2013, 2013
ISBN 10 : 1468437305
ISBN 13 : 9781468437300
Neuf
Taschenbuch
Vendeur : BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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. 344 pp. Englisch. N° de réf. du vendeur 9781468437300
Acheter neuf
EUR 53,49
Frais de port :
EUR 23
De Allemagne vers Etats-Unis
Quantité disponible : 2 disponible(s)
Image d'archives
Computational Methods in Chemistry
Edité par
Springer-Verlag New York Inc., 2013
ISBN 10 : 1468437305
ISBN 13 : 9781468437300
Neuf
Paperback / softback
Vendeur : THE SAINT BOOKSTORE, Southport, Royaume-Uni
Évaluation du vendeur 5 sur 5 étoiles
Paperback / softback. Etat : New. This item is printed on demand. New copy - Usually dispatched within 5-9 working days 594. N° de réf. du vendeur C9781468437300
Acheter neuf
EUR 66,91
Frais de port :
EUR 19,06
De Royaume-Uni vers Etats-Unis
Quantité disponible : Plus de 20 disponibles
Image d'archives
Computational Methods in Chemistry (The IBM Research Symposia Series)
Vendeur : Revaluation Books, Exeter, Royaume-Uni
Évaluation du vendeur 5 sur 5 étoiles
Paperback. Etat : Brand New. 339 pages. 9.61x6.69x0.78 inches. In Stock. N° de réf. du vendeur x-1468437305
Acheter neuf
EUR 80,12
Frais de port :
EUR 14,27
De Royaume-Uni vers Etats-Unis
Quantité disponible : 2 disponible(s)
Image fournie par le vendeur
Computational Methods in Chemistry
impression à la demandeVendeur : moluna, Greven, Allemagne
Évaluation du vendeur 4 sur 5 étoiles
Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. 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 Richar. N° de réf. du vendeur 4203645
Acheter neuf
EUR 48,37
Frais de port :
EUR 48,99
De Allemagne vers Etats-Unis
Quantité disponible : Plus de 20 disponibles
Image fournie par le vendeur
Computational Methods in Chemistry
Edité par
Springer US, Springer New York Apr 2013, 2013
ISBN 10 : 1468437305
ISBN 13 : 9781468437300
Neuf
Taschenbuch
Vendeur : buchversandmimpf2000, Emtmannsberg, BAYE, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. This item is printed on demand - Print on Demand Titel. Neuware -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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 344 pp. Englisch. N° de réf. du vendeur 9781468437300
Acheter neuf
EUR 53,49
Frais de port :
EUR 60
De Allemagne vers Etats-Unis
Quantité disponible : 1 disponible(s)
Image fournie par le vendeur
Computational Methods in Chemistry
Vendeur : preigu, Osnabrück, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. Computational Methods in Chemistry | Joachim Bargon | Taschenbuch | viii | Englisch | 2013 | Springer US | EAN 9781468437300 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. N° de réf. du vendeur 105652528
Acheter neuf
EUR 50,95
Frais de port :
EUR 70
De Allemagne vers Etats-Unis
Quantité disponible : 5 disponible(s)
Image fournie par le vendeur
Computational Methods in Chemistry
Vendeur : AHA-BUCH GmbH, Einbeck, Allemagne
Évaluation du vendeur 5 sur 5 étoiles
Taschenbuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - 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. N° de réf. du vendeur 9781468437300
Acheter neuf
EUR 59,97
Frais de port :
EUR 62,98
De Allemagne vers Etats-Unis
Quantité disponible : 1 disponible(s)