1.

Record Nr.

UNISA996465883703316

Titolo

Database Systems for Advanced Applications [[electronic resource] ] : 16th International Conference, DASFAA 2011, Hong Kong, China, April 22-25, 2011, Proceedings, Part I / / edited by Jeffrey Xu Yu, Myoung Ho Kim, Rainer Unland

Pubbl/distr/stampa

Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2011

ISBN

3-642-20149-0

Edizione

[1st ed. 2011.]

Descrizione fisica

1 online resource (XXII, 583 p.)

Collana

Information Systems and Applications, incl. Internet/Web, and HCI ; ; 6587

Disciplina

005.74

Soggetti

Database management

Data mining

Information storage and retrieval

Application software

Multimedia information systems

User interfaces (Computer systems)

Database Management

Data Mining and Knowledge Discovery

Information Storage and Retrieval

Information Systems Applications (incl. Internet)

Multimedia Information Systems

User Interfaces and Human Computer Interaction

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Bibliographic Level Mode of Issuance: Monograph

Nota di bibliografia

Includes bibliographical references and index.

Sommario/riassunto

This two volume set LNCS 6587 and LNCS 6588 constitutes the refereed proceedings of the 16th International Conference on Database Systems for Advanced Applications, DASFAA 2011, held in Saarbrücken, Germany, in April 2010. The 53 revised full papers and 12 revised short papers presented together with 2 invited keynote papers, 22 demonstration papers, 4 industrial papers, 8 demo papers, and the



abstract of 1 panel discussion, were carefully reviewed and selected from a total of 225 submissions. The topics covered are social network, social network and privacy, data mining, probability and uncertainty, steam processing, graph, XML, XML and graph, similarity, searching and digital preservation, spatial queries, query processing, as well as indexing and high performance.

2.

Record Nr.

UNINA9910819924703321

Titolo

Structure elucidation in organic chemistry : the search for the right tools / / edited by María-Magdalena Cid and Jorge Bravo

Pubbl/distr/stampa

Weinheim, Germany : , : Wiley-VCH, , 2015

©2015

ISBN

3-527-66463-7

3-527-66461-0

3-527-66464-5

Descrizione fisica

1 online resource (1216 p.)

Disciplina

547.12

Soggetti

Organic compounds - Structure

Nuclear magnetic resonance spectroscopy

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Description based upon print version of record.

Nota di bibliografia

Includes bibliographical references at the end of each chapters and index.

Nota di contenuto

Cover; Related Titles; Title Page; Copyright; Preface; List of Contributors; Chapter 1: Interaction of Radiation with Matter; 1.1 Introduction; 1.2 Spectroscopy: A Definition; 1.3 Electromagnetic Radiation; 1.4 Electromagnetic Spectrum; 1.5 Interaction of Radiation with Matter; 1.6 Magnetic Spectroscopies; 1.7 Pulse Techniques in NMR Spectroscopy; 1.8 Line Widths; 1.9 Selection Rules; 1.10 Summary of Spectroscopic Techniques; References; Chapter 2: Computational Spectroscopy Tools for Molecular Structure Analysis; 2.1 Introduction; 2.2 Potential Energy Surface and Molecular Structure

2.3 Computational Aspects for Spectroscopic Techniques2.4 Application and Case Studies; Acknowledgments; References; Chapter



3: Absolute Configuration and Conformational Analysis of Chiral Compounds via Experimental and Theoretical Prediction of Chiroptical Properties: ORD, ECD, and VCD; 3.1 Introduction; 3.2 Chirality; 3.3 What is a Chiroptical Method?; 3.4 Quantum Mechanical (Ab Initio) Methods for Predicting Chiroptical Properties; 3.5 Electronic Circular Dichroism (ECD); 3.6 Vibrational Circular Dichroism (VCD); 3.7 Optical Rotatory Dispersion (ORD)

3.8 When More than One Method is Needed3.9 Concluding Remarks; References; Chapter 4: Mass Spectrometry Strategies in the Assignment of Molecular Structure: Breaking Chemical Bonds before Bringing the Pieces of the Puzzle Together; 4.1 Introduction; 4.2 Instrumentation and Technology; 4.3 Breaking Chemical Bonds - Fragmentation Reactions; 4.4 Confirmation of Identity; 4.5 Putting the Puzzle Together - Structure Elucidation of Unknowns; 4.6 Conclusions and Perspectives; Abbreviations; References; Chapter 5: Basic Principles of IR/Raman: Applications in Small Molecules Structural Elucidation

5.1 Introduction5.2 Characteristic Vibrational Modes: Diatomics and Chemical Bonds; 5.3 Fundamental Vibrational Modes and Molecular Structure; 5.4 Selection Rules and Finding the Number of Normal Modes in Each Symmetry Species; 5.5 The Vibrational Assignment of Raman and Infrared Spectra; 5.6 Conclusions; References; Chapter 6: Solid-State NMR Applications in the Structural Elucidation of Small Molecules; 6.1 Introduction; 6.2 Line-Narrowing and Sensitivity Enhancement Methods in ssNMR Spectroscopy; 6.3 Probing Dynamics in Solids; 6.4 Application of ssNMR Spectroscopy to Small Molecules

6.5 NMR of Molecules on Surfaces (DNP)6.6 NMR Crystallography; Acronyms; References; Chapter 7: Simplified NMR Procedures for the Assignment of the Absolute Configuration; 7.1 Introduction; 7.2 Single Derivatization Methods for Mono- and Polyfunctional Compounds; 7.3 Resin-Bound Chiral Derivatizing Agents (Mix and Shake Method); 7.4 Non-resin in Tube Assignment (BPG and BINOL Borates); 7.5 Tandem HPLC-NMR: Simultaneous Enantioresolution and Configurational Assignment; 7.6 Assignment Based on the Chemical Shifts from the Auxiliaries; 7.7 Scope and Conclusions; References

Chapter 8: Structural Elucidation of Small Organic Molecules Assistedby NMR in Aligned Media

Sommario/riassunto

Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Speci