Milan Randic, Marjana Novic, Dejan Plavsic

Solved and Unsolved Problems of Structural Chemistry (eBook, ePUB)

• Format: ePub

Produktbeschreibung

This book introduces new methods and approaches for solving problems related to molecular structure. It includes numerous subjects such as aromaticity and topics from bioinformatics such as, DNA, proteins, and proteomes. It sheds light on numerous problems in chemistry which appeared to have been solved but were actually incomplete, including the protein alignment problem, as well as other complete solutions, methods, and approaches that can lead to the actualization of further solutions to problems in chemistry.

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Produktdetails

• Verlag: Taylor & Francis eBooks
• Erscheinungstermin: 21. April 2016
• Englisch
• ISBN-13: 9781040178492
• Artikelnr.: 73303036

Autorenporträt

Milan Randic earned his PhD from the University of Cambridge, England. He founded the Theoretical Chemistry group at the Institute Rudjer Boskovic in Zagreb, Croatia, in 1960. He joined the department of chemistry at the University of Zagreb in 1965 before leaving for the United States. He later joined the department of mathematics and computer science at Drake University, Des Moines, Iowa, until his retirement in 1999 as a distinguished professor. He has won several awards and pays annual visits to the Laboratory of Chemometrics, National Institute of Chemistry, Ljubljana, Slovenia. He is a member of the Croatian Academy of Sciences and Arts, an honorary member of the Slovenian Chemical Society, and an honorary member of the National Institute of Chemistry in Ljubljana, from which he received the Grand Pregel Award in 2010. In 2014 he reported the exact solution of the protein alignment problem, which had existed for 45 years.

Marjana Novic is head of the Laboratory of Chemometrics at the National Institute of Chemistry, Ljubljana, Slovenia, and teaches chemometrics at the University of Ljubljana, where she earned her PhD from the Faculty of Chemistry and Chemical Technology in 1985. She started her career at the National Institute of Chemistry in Ljubljana, initially developing automated information systems for infrared and NMR spectroscopy. Her expertise includes the development of chemometrics methods, QSAR and ANN modeling, structural elucidation of transmembrane segments of membrane proteins, and innovative merging of chemometrics methods with molecular modeling, which facilitates effective drug design.

Dejan Plavsic is a senior research scientist at the NMR Center at the Rudjer Boskovic Institute, Zagreb, Croatia. He earned his PhD in chemistry from the University of Zagreb. His research interests are in mathematical chemistry, chemical graph theory and its applications, metal clusters, organometallic c

Inhaltsangabe

Introduction. Mathematical Chemistry. Graph Theory and Chemistry.
Characteristic Polynomial. Structure-Activity. Molecular Descriptors.
Partial Ordering. Novel Molecular Matrices. On Highly Similar Molecules.
Aromaticity Revisited. Clar Aromatic Sextet. Renormalization in Chemistry.
Graphical Bioinformatics. Beauties and Sleeping Beauties in Science.
Appendices.

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Introduction. Mathematical Chemistry. Graph Theory and Chemistry. Characteristic Polynomial. Structure-Activity. Molecular Descriptors. Partial Ordering. Novel Molecular Matrices. On Highly Similar Molecules. Aromaticity Revisited. Clar Aromatic Sextet. Renormalization in Chemistry. Graphical Bioinformatics. Beauties and Sleeping Beauties in Science. Appendices.

Rezensionen

"Already in the Preface (on page XIII) the authors declare that their book is 'unusual and unconventional'. Indeed it is! Contrary to many other existing monographs concerned with chemical graph theory or its selected special topics, this book is full of interesting, unusual, and surprising excursions, making its reading a great pleasure. Everywhere in the book, we find historical details and anecdotes, related to physics, chemistry, physical chemistry, and mathematics, often coming from Milan Randic's personal experience. Colleagues interested in philosophy of science (or philosophy in general) will also find a wealth of intriguing ideas. For these colleagues we especially recommend Chapter 14, and its sections 'On Beauty in Science' and 'Sleeping Giants'. The same chapter will be a gold mine for scholars interested in the history of chemistry . . .
In summary, 'Solved and Unsolved Problems of Structural Chemistry' is a valuable treatise, outlining practically all facets of the research of Milan Randic in various areas of chemical graph theory. ... this book should be a valuable item in the personal library of all those who ever did any work or ever had any interest in chemical graph theory."
- Ivan Gutman, Match: Communications in Mathematical and in Computer Chemistry, 2016.

"The book is foremost readable, copiously and suitably illustrated, and set out in a logical manner... I would recommend this book to someone interested in chemical graph theory with any level of knowledge of physical chemistry."
- Colin F. Poole for Chromatographia (2016) 79:1049-1050. DOI 10.1007/s10337-016-3110-4.

"Along 14 chapters and a large number of appendices (23!),the volume quite well printed by CRC Press essentially develops the problems related with the connection of graph theory with molecular structure and chemistry. [...] The book is interesting enough to be worth reading and alternatively constitutes quite an important consulting tool."

- Ramon Carbó-Dorca for Journal of Computational Chemistry (2019)