Computational Techniques in Quantum Chemistry and Molecular Physics, Geerd H.F. Diercksen; B.T. Sutcliffe; A. Veillard
Автор: Robert Zale?ny; Manthos G. Papadopoulos; Paul G. M Название: Linear-Scaling Techniques in Computational Chemistry and Physics ISBN: 9400735561 ISBN-13(EAN): 9789400735569 Издательство: Springer Рейтинг: Цена: 46118.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This text systematically reviews recent developments in linear-scaling methods and their applications in computational chemistry and physics. Heavy emphasis is placed on the theoretical aspects of linear-scaling methods.
Автор: Stephen Wilson; Geerd H.F. Diercksen Название: Methods in Computational Molecular Physics ISBN: 1461574218 ISBN-13(EAN): 9781461574217 Издательство: Springer Рейтинг: Цена: 16979.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of a NATO ASI held in Bad Windsheim, Germany, July 22-August 2, 1991
Автор: Clive A J Fletcher Название: Computational techniques for fluid dynamics V2 ISBN: 3642970737 ISBN-13(EAN): 9783642970733 Издательство: Springer Рейтинг: Цена: 9794.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: As indicated in Vol. 1, the purpose of this two-volume textbook is to pro vide students of engineering, science and applied mathematics with the spe cific techniques, and the framework to develop skill in using them, that have proven effective in the various branches of computational fluid dy namics Volume 1 describes both fundamental and general techniques that are relevant to all branches of fluid flow. This volume contains specific tech niques applicable to the different categories of engineering flow behaviour, many of which are also appropriate to convective heat transfer.
The contents of Vol. 2 are suitable for specialised graduate courses in the engineering computational fluid dynamics (CFD) area and are also aimed at the established research worker or practitioner who has already gained some fundamental CFD background. It is assumed that the reader is famil iar with the contents of Vol.
1. The contents of Vol. 2 are arranged in the following way: Chapter 11 de velops and discusses the equations governing fluid flow and introduces the simpler flow categories for which specific computational techniques are considered in Chaps.
14-18. Most practical problems involve computational domain boundaries that do not conveniently coincide with coordinate lines. Consequently, in Chap.
12 the governing equations are expressed in generalised curvilinear coordinates for use in arbitrary computational domains. The corresponding problem of generating an interior grid is considered in Chap. 13.
Автор: Martin Vingron; Limsoon Wong Название: Research in Computational Molecular Biology ISBN: 3540788387 ISBN-13(EAN): 9783540788386 Издательство: Springer Рейтинг: Цена: 12577.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Constitutes the refereed proceedings of the 12th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2008, held in Singapore, in March/April 2008.
Автор: Alberto Apostolico; Concettina Guerra; Sorin Istra Название: Research in Computational Molecular Biology ISBN: 3540332952 ISBN-13(EAN): 9783540332954 Издательство: Springer Рейтинг: Цена: 14673.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Constitutes the refereed proceedings of the 10th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2006, held in Venice, Italy in April 2006. This book reviews and selects 40 papers presented together with abstracts of 7 keynote talks from 212 submissions.
Автор: Leszczynski Jerzy Название: Practical Aspects of Computational Chemistry III ISBN: 148997444X ISBN-13(EAN): 9781489974440 Издательство: Springer Рейтинг: Цена: 20962.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference “Conference on Current Trends on Computational Chemistry” (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate and PhD students as well as established researchers.
Автор: Teresa M. Przytycka Название: Research in Computational Molecular Biology ISBN: 3319167057 ISBN-13(EAN): 9783319167053 Издательство: Springer Рейтинг: Цена: 7826.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book constitutes the refereed proceedings of the 19th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2015, held in Warsaw, Poland, in April 2015. They report on original research in all areas of computational molecular biology and bioinformatics.
Автор: J.S. Dehesa; J.M.G. Gomez; A. Polls Название: Mathematical and Computational Methods in Nuclear Physics ISBN: 3540133925 ISBN-13(EAN): 9783540133926 Издательство: Springer Рейтинг: Цена: 15672.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This IMA Volume in Mathematics and its Applications MULTIPARTICLE QUANTUM SCATTERING WITH APPLICATIONS TO NUCLEAR, ATOMIC AND MOLECULAR PHYSICS is based on the proceedings of a workshop with the same title, which was an integral part of the 1994-1995 IMA program on "Waves and Scattering." We would like to thank Donald G. Truhlar and Barry Simon for their ex- cellent work as organizers of this meeting and as editors of the proceedings. We also take this opportunity to thank the National Science Foundation (NSF), the Army Research Office (ARO), and the Office of Naval Research (ONR), whose financial support made the workshop possible. A vner Friedman Robert Gulliver v PREFACE The workshop on Multiparticle Quantum Scattering with Applications to Nuclear, Atomic, and Molecular Physics was held June 12-16, 1995 at the Institute for Mathematics and Its Applications in the University of Min- nesota Twin Cities campus as part of the 1994-95 Program on Waves and Scattering. There were about seventy participants including the plenary lecturers whose contributions are included in this volume. The workshop was preceded by a two-day tutorial featuring lectures by Donald J. Kouri and Gian Michele Graf, and we are pleased that both Professors Graf and Kouri were able to write up their tutorials as opening chapters of this volume.
Автор: Leszczynski Jerzy Название: Practical Aspects of Computational Chemistry II ISBN: 940079939X ISBN-13(EAN): 9789400799394 Издательство: Springer Рейтинг: Цена: 28732.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
"Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends "gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the twentieth anniversary of the Conference on Current Trends in Computational Chemistry (CCTCC) to success of which all authors contributed.
Starting with the recent development of modeling of solvation effect using the Polarizable Continuum Model (PCM) at the Coupled-Cluster level and the effects of extreme pressure on the molecular properties within the PCM framework, this volume focuses on the association/dissociation of ion pairs in binary solvent mixtures, application of graph theory to determine the all possible structures and temperature-dependent distribution of water cluster, generalized-ensemble algorithms for the complex molecular simulation, QM/MD based investigation of formation of different nanostructures under nonequilibrium conditions, quantum mechanical study of chemical reactivity of carbon nanotube, covalent functionalization of single walled-carbon nanotube, designing of functional materials, importance of long-range dispersion interaction to study nanomaterials, recent advances in QSPR/QSAR analysis of nitrocompounds, prediction of physico-chemical properties of energetic materials, electronic structure and properties of 3d transition metal dimers, the s-bond activation reactions by transition metal complexes, theoretical modeling of environmental mercury depletion reaction, organolithium chemistry and computational modeling of low-energy electron induced DNA damage. "Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends"is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
"Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends"is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers."
Автор: Leszczynski Jerzy Название: Practical Aspects of Computational Chemistry I ISBN: 9400797710 ISBN-13(EAN): 9789400797710 Издательство: Springer Рейтинг: Цена: 28732.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Assessing the progress made in the last 20 years in this discipline`s methodological theory, this volume presents a plethora of computing applications to chemistry-related problems and includes an exhaustive survey of techniques applied to nanomaterials.
Автор: Mona Singh Название: Research in Computational Molecular Biology ISBN: 3319319566 ISBN-13(EAN): 9783319319568 Издательство: Springer Рейтинг: Цена: 6988.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Thisbook constitutes the proceedings of the 20th Annual Conference on Research inComputational Molecular Biology, RECOMB 2016, held in Santa Monica, CA, USA, inApril 2016. The 15 regular papers presented in this volume were carefullyreviewed and selected from 172 submissions.
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