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Author : Serafín Fraga
Publisher : Editorial CSIC - CSIC Press
ISBN 13 : 9788400066079
Total Pages : 368 pages
Book Rating : 4.0/5 (66 download)
Download or read book Química teórica written by Serafín Fraga and published by Editorial CSIC - CSIC Press. This book was released on 1987 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Juan Andrés Bort
Publisher : Publicacions de la Universitat Jaume I
ISBN 13 : 9788480213127
Total Pages : 580 pages
Book Rating : 4.2/5 (131 download)
Download or read book Química teórica y computacional written by Juan Andrés Bort and published by Publicacions de la Universitat Jaume I. This book was released on 2001-02-01 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt: It seems obvious that the practical training of Theoretical Chemistry is linked to the development of Computer Science. Actually, this particular science is everywhere, in all fields of knowledge, and this is relevant in Chemistry, because Theoretical Chemistry has been able to display its possibilities thanks to modern computers.
Author : Jan K. Labanowski
Publisher : Springer Science & Business Media
ISBN 13 : 1461231361
Total Pages : 444 pages
Book Rating : 4.4/5 (612 download)
Download or read book Density Functional Methods in Chemistry written by Jan K. Labanowski and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Predicting molecular structure and energy and explaining the nature of bonding are central goals in quantum chemistry. With this book, the editors assert that the density functional (DF) method satisfies these goals and has come into its own as an advanced method of computational chemistry. The wealth of applications presented in the book, ranging from solid state sys tems and polymers to organic and organo-metallic molecules, metallic clus ters, and biological complexes, prove that DF is becoming a widely used computational tool in chemistry. Progress in the methodology and its imple mentation documented by the contributions in this book demonstrate that DF calculations are both accurate and efficient. In fact, the results of DF calculations may pleasantly surprise many chem ists. Even the simplest approximation of DF, the local spin density method (LSD), yields molecular structures typical of ab initio correlated methods. The next level of theory, the nonlocal spin density method, predicts the energies of molecular processes within a few kcallmol or less. Like the Hartree-Fock (HF) and configuration interaction (CI) methods, the DF method is based only on fundamental physical constants. Therefore, it does not require semiempirical parameters and can be applied to any molecular system and to metallic phases. However, DF's greatest advantage is that it can be applied to much larger systems than those approachable by tradition al ab initio methods, especially when compared with correlated ab initio methods.
Author : L. F. Thenard
Publisher :
ISBN 13 :
Total Pages : 554 pages
Book Rating : 4.5/5 (3 download)
Download or read book Tratado completo de química teórica y práctica written by L. F. Thenard and published by . This book was released on 1830 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quimica Teorica written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 : 9587927117
Total Pages : 157 pages
Book Rating : 4.5/5 (879 download)
Download or read book written by and published by . This book was released on with total page 157 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Louis Jacques Thenard (Barón.)
Publisher :
ISBN 13 :
Total Pages : 502 pages
Book Rating : 4.5/5 (314 download)
Download or read book Tratado completo de química teórica y práctica written by Louis Jacques Thenard (Barón.) and published by . This book was released on 1830 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Michell J. Sienko
Publisher :
ISBN 13 :
Total Pages : 710 pages
Book Rating : 4.:/5 (61 download)
Download or read book Quimica teorica y descriptiva written by Michell J. Sienko and published by . This book was released on 1976 with total page 710 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Anders Lundgren
Publisher : Science History Publications
ISBN 13 : 9780881352740
Total Pages : 484 pages
Book Rating : 4.3/5 (527 download)
Download or read book Communicating Chemistry written by Anders Lundgren and published by Science History Publications. This book was released on 2000 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: Historians and philosophers of science offer 18 papers from a European Science Foundation workshop held in Uppsala, Sweden, in February 1996, explore such questions as how textbooks differ from other forms of chemical literature, under what conditions they become established as a genre, whether they develop a specific rhetoric, how their audiences help shape the profile of chemistry, translations, and other topics. Only names are indexed.
Author : Henry Carrington Bolton
Publisher :
ISBN 13 :
Total Pages : 1244 pages
Book Rating : 4.:/5 (334 download)
Download or read book A Select Bibliography of Chemistry, 1492-1892 written by Henry Carrington Bolton and published by . This book was released on 1893 with total page 1244 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Z. Sobecka
Publisher : Elsevier
ISBN 13 : 1483284433
Total Pages : 1334 pages
Book Rating : 4.4/5 (832 download)
Download or read book Dictionary of Chemistry and Chemical Technology written by Z. Sobecka and published by Elsevier. This book was released on 2013-09-24 with total page 1334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dictionary of Chemistry and Chemical Technology presents approximately 12,000 terminologies wherein these terms and their corresponding equivalents have been checked in literature in each of the six languages, including English, Spanish, German, French, Polish, and Russian. Each separately numbered English term in this book refers to a distinct concept as determined from the existing literature of the subject. The entries in this book are arranged in alphabetical order of the English terms and are numbered consecutively. This book provides as well an index of English synonyms for chemical compounds, to which the reader should refer in case a wanted term cannot be found in the main text. This book is a valuable resource for chemists. Readers of foreign literature seeking the exact corresponding equivalent of a scientific expression will also find this book extremely useful.
Author : Swapan Kumar Ghosh
Publisher : CRC Press
ISBN 13 : 1466506210
Total Pages : 345 pages
Book Rating : 4.4/5 (665 download)
Download or read book Concepts and Methods in Modern Theoretical Chemistry written by Swapan Kumar Ghosh and published by CRC Press. This book was released on 2016-04-19 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics, the second book in a two-volume set, focuses on the dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initio quantum
Author : University of Santo Tomás
Publisher :
ISBN 13 :
Total Pages : 244 pages
Book Rating : 4.3/5 (91 download)
Download or read book General Bulletin written by University of Santo Tomás and published by . This book was released on 1922 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Swapan Kumar Ghosh
Publisher : CRC Press
ISBN 13 : 1482260689
Total Pages : 856 pages
Book Rating : 4.4/5 (822 download)
Download or read book Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set written by Swapan Kumar Ghosh and published by CRC Press. This book was released on 2020-06-16 with total page 856 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concepts and Methods in Modern Theoretical Chemistry, Two-Volume Set focuses on the structure and dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, the two books offer chapters written by experts in their fields. They enable readers to learn how concepts from ab initio quantum chemistry, density functio
Author : Gerardo Cisneros
Publisher : World Scientific
ISBN 13 : 9814545805
Total Pages : 421 pages
Book Rating : 4.8/5 (145 download)
Download or read book Computational Chemistry And Chemical Engineering - Proceedings Of The Third Unam-cray Supercomputing Confrence written by Gerardo Cisneros and published by World Scientific. This book was released on 1997-10-31 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a wide-ranging and up-to-date description of state-of-the-art computational methodologies in chemistry and chemical engineering. It displays a representative mix of topics on the computation and modeling of chemical systems of all sizes, from the very small (atomic) to the very large (industrial). The book constitutes an excellent overview for graduate students as well as a critical update for researchers.
Author : United States. Office of Education
Publisher :
ISBN 13 :
Total Pages : 902 pages
Book Rating : 4.3/5 (117 download)
Download or read book Bulletin written by United States. Office of Education and published by . This book was released on 1918 with total page 902 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Savaş Kaya
Publisher : Elsevier
ISBN 13 : 0323906125
Total Pages : 608 pages
Book Rating : 4.3/5 (239 download)
Download or read book Chemical Reactivity written by Savaş Kaya and published by Elsevier. This book was released on 2023-05-15 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 present the latest developments in theoretical chemistry and its application for the assessment of chemical processes.Beginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM.Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 1: Theories and Principles is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis. Provides readers with the key information needed to gain a good overview of contemporary chemical reactivity studies and a clear understanding of the theory behind state-of-the-art methods in the field Highlights advances in the computational descriptions of reactivity, including reactivity in confined environments, conceptual density functional theory, and multi-reference quantum chemistry Provides comprehensive coverage by consolidating the knowledge of many well-known researchers in the field from around the world
