Computational molecular spectroscopy (45 résultats)

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Taschenbuch. Etat : Neu. Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics | Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions | Stavros C. Farantos | Taschenbuch | SpringerBriefs in Molecular Science | xi | Englisch | 2014 | Springer | EAN 9783319099873 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.…

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Etat : New. Proceedings of the NATO Advanced Study Institute on 'Molecular Spectroscopy: Recent Experimental and Computational Advances', Ponta Delgada, Sao Miguel, (Acores), Portugal, August 30-September 11, 1992 Editor(s): Fausto, R. Series: NATO Science Series C. Num Pages: 454 pages, biography. BIC Classification: PDN; PNF. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 235 x 155 x 26. Weight in Grams: 846. . 1993. Hardback. . . . . …

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Taschenbuch. Etat : Neu. Neuware - Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed. This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective. (short text) This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective.…

Etat : New. Proceedings of the NATO Advanced Study Institute on 'Molecular Spectroscopy: Recent Experimental and Computational Advances', Ponta Delgada, Sao Miguel, (Acores), Portugal, August 30-September 11, 1992 Editor(s): Fausto, R. Series: NATO Science Series C. Num Pages: 454 pages, biography. BIC Classification: PDN; PNF. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 235 x 155 x 26. Weight in Grams: 846. . 1993. Hardback. . . . . Books ship from the US and Ireland. …

Buch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed. This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective. (short text) This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective.…

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Etat : New. Twenty studies bridge the gaps between traditional quantum chemistry.theoretical high-resolution spectroscopy.and molecular dynamics. (SciTech Book News, Vol. 25, No. 2, June 2001) .a valuable source of information. (Angewandte Chemie Internatio.

Etat : New. pp. xiv + 670 Illus.

Etat : New. This book describes the use of modern computational methods in predicting high resolution molecular spectra, which allows the experimental spectroscopist to interpret and assign real spectra. aeo Offers a comprehensive treatment of modern computation techniques. Editor(s): Jensen, Per; Bunker, P. R. Num Pages: 686 pages, Illustrations. BIC Classification: PNFS; UGK. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 250 x 176 x 45. Weight in Grams: 1302. . 2000. 1st Edition. Hardcover. . . . . …