Handbook of Computational Chemistry
Editat de Jerzy Leszczynski, Anna Kaczmarek-Kedziera, Tomasz Puzyn, Manthos G. Papadopoulos, Heribert Reis, Manoj K. Shuklaen Limba Engleză Hardback – 10 feb 2017
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Specificații
ISBN-13: 9783319272818
ISBN-10: 3319272810
Pagini: 2000
Ilustrații: XXVI, 2381 p. 588 illus., 315 illus. in color. In 3 volumes, not available separately.
Dimensiuni: 155 x 235 mm
Greutate: 0.92 kg
Ediția:2nd ed. 2017
Editura: Springer International Publishing
Colecția Springer
Locul publicării:Cham, Switzerland
ISBN-10: 3319272810
Pagini: 2000
Ilustrații: XXVI, 2381 p. 588 illus., 315 illus. in color. In 3 volumes, not available separately.
Dimensiuni: 155 x 235 mm
Greutate: 0.92 kg
Ediția:2nd ed. 2017
Editura: Springer International Publishing
Colecția Springer
Locul publicării:Cham, Switzerland
Cuprins
From the Contents: From Quantum Theory to Computational Chemistry.- Exceptional status of chemistry.- The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics.- Remarks on Wave Function Theory and Methods.
Recenzii
“Highlight the modern state of art of computational chemistry which ‘has become an important indeed sometimes essential auxiliary to experimental work’ … . the necessary attributes on the desks of all computational chemists and physicists, PhD students of these disciplines, and applied mathematicians.” (Eugene Kryachko, zbMATH, Vol. 1366.81020, 2017)
Notă biografică
Jerzy Leszczynski - Professor of Chemistry and President’s Distinguished Fellow at the Jackson State University (JSU) joined the faculty of the JSU Department of Chemistry in 1990. Dr. Leszczynski attended the Technical University of Wroclaw (TUW) in Wroclaw, Poland obtaining his M.S (1972) and Ph.D. (1975) degrees. During the period 1976
–1986 he served as a faculty member at the TUW. In 1986 he moved to USA, initially as a visiting scientist at the University of Florida, Quantum Theory Project (1986-88) and as a research associate at the University of Alabama at Birmingham (1988-1990). During the period 1998 – 2008 Dr. Leszczynski had served as the director for the Computational Center for Molecular Structure and Interactions (NSF-CREST Center). Since October 2008 he directs new Interdisciplinary Nanotoxicity CREST Center at JSU. Dr. Leszczynski is a computational quantum chemist whose vast areas of interest include: nature of chemical bonds, theoretical predictions of molecularpotential energy surfaces and vibrational spectra, structures and properties of molecules with heavy elements, properties and structure of DNA fragments, and characteristics of nanomaterials. He also applies computational chemistry methods to environmental problems, surface chemistry and atmospheric chemistry. Two areas of his research contributions are the most noticeable: investigations of DNA fragments and development of novel techniques for investigation of properties and toxicity of nanomaterials.
–1986 he served as a faculty member at the TUW. In 1986 he moved to USA, initially as a visiting scientist at the University of Florida, Quantum Theory Project (1986-88) and as a research associate at the University of Alabama at Birmingham (1988-1990). During the period 1998 – 2008 Dr. Leszczynski had served as the director for the Computational Center for Molecular Structure and Interactions (NSF-CREST Center). Since October 2008 he directs new Interdisciplinary Nanotoxicity CREST Center at JSU. Dr. Leszczynski is a computational quantum chemist whose vast areas of interest include: nature of chemical bonds, theoretical predictions of molecularpotential energy surfaces and vibrational spectra, structures and properties of molecules with heavy elements, properties and structure of DNA fragments, and characteristics of nanomaterials. He also applies computational chemistry methods to environmental problems, surface chemistry and atmospheric chemistry. Two areas of his research contributions are the most noticeable: investigations of DNA fragments and development of novel techniques for investigation of properties and toxicity of nanomaterials.
Caracteristici
Expands and revises a valuable and accessible reference work, now in second edition Features new sections including chemoinformatics, relativity, and solvents Presents peer reviewed, semi-empirical, molecular mechanics, and hybrid content by contributors of international distinction Provides quick and accessible information to all, from undergraduate students to professionals Supports both theoreticians and experimentalists with reliable and current material Includes supplementary material: sn.pub/extras