Warning: SQLite3::exec(): disk I/O error in /home/admin/web/vmi322563.contaboserver.net/public_html/index.php on line 71

Warning: SQLite3::querySingle(): Unable to prepare statement: 10, disk I/O error in /home/admin/web/vmi322563.contaboserver.net/public_html/index.php on line 1494
Ajit J Thakkar Quantum Chemistry - trepgardeaka.tk
TREPGARDEAKA.TK

Ajit J Thakkar Quantum Chemistry


This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry. The book can be used to teach introductory quantum c

3412.29 RUR

/ / похожие

Подробнее

Ajit Thakkar Quantum Chemistry


This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages.

3412.29 RUR

/ / похожие

Подробнее

Björn O. Roos Multiconfigurational Quantum Chemistry


The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.

12178.16 RUR

/ / похожие

Подробнее

Группа авторов The Quantum in Chemistry


This book explores the way in which quantum theory has become central to our understanding of the behaviour of atoms and molecules. It looks at the way in which this underlies so many of the experimental measurements we make, how we interpret those experiments and the language which we use to describe our results. It attempts to provide an account of the quantum theory and some of its applications to chemistry. This book is for researchers working on experimental aspects of chemistry and the allied sciences at all levels, from advanced undergraduates to experienced research project leaders, wishing to improve, by self-study or in small research-orientated groups, their understanding of the ways in which quantum mechanics can be applied to their problems. The book also aims to provide useful background material for teachers of quantum mechanics courses and their students.

19543.1 RUR

/ / похожие

Подробнее

Hugo Kubinyi Quantum Medicinal Chemistry


Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceutical practice, whether the study of inhibitor binding, identifying the surface load of active substances or deriving molecular descriptors using quantum chemical tools. For anyone striving to stay ahead in this rapidly evolving field.

20008.42 RUR

/ / похожие

Подробнее

Kenny Lipkowitz B. Reviews in Computational Chemistry


This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in Volume 18 include molecular modeling, computer-assisted molecular design (camd), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (qsar).

30059.16 RUR

/ / похожие

Подробнее

J C Roberts The Chemistry of Paper

Andrew J. Peacock Polymer Chemistry

Shuang Cong Control of Quantum Systems. Theory and Methods


Advanced research reference examining the closed and open quantum systems Control of Quantum Systems: Theory and Methods provides an insight into the modern approaches to control of quantum systems evolution, with a focus on both closed and open (dissipative) quantum systems. The topic is timely covering the newest research in the field, and presents and summarizes practical methods and addresses the more theoretical aspects of control, which are of high current interest, but which are not covered at this level in other text books. The quantum control theory and methods written in the book are the results of combination of macro-control theory and microscopic quantum system features. As the development of the nanotechnology progresses, the quantum control theory and methods proposed today are expected to be useful in real quantum systems within five years. The progress of the quantum control theory and methods will promote the progress and development of quantum information, quantum computing, and quantum communication. Equips readers with the potential theories and advanced methods to solve existing problems in quantum optics/information/computing, mesoscopic systems, spin systems, superconducting devices, nano-mechanical devices, precision metrology. Ideal for researchers, academics and engineers in quantum engineering, quantum computing, quantum information, quantum communication, quantum physics, and quantum chemistry, whose research interests are quantum systems control.

14424.67 RUR

/ / похожие

Подробнее

Ilya Prigogine New Methods in Computational Quantum Mechanics


The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently. These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretation of chemical phenomena and a guide to laboratory experiments. However, the success of these recent developments in computational quantum chemistry is not well known outside the community of practitioners. In order to make the larger community of chemical physicists aware of the current state of the subject, this self-contained volume of Advances in Chemical Physics surveys a number of the recent accomplishments in computational quantum chemistry. This stand-alone work presents the cutting edge of research in computational quantum mechanics. Supplemented with more than 150 illustrations, it provides evaluations of a broad range of methods, including: * Quantum Monte Carlo methods in chemistry * Monte Carlo methods for real-time path integration * The Redfield equation in condensed-phase quantum dynamics * Path-integral centroid methods in quantum statistical mechanics and dynamics * Multiconfigurational perturbation theory-applications in electronic spectroscopy * Electronic structure calculations for molecules containing transition metals * And more Contributors to New Methods in Computational Quantum Mechanics KERSTIN ANDERSSON, Department of Theoretical Chemistry, Chemical Center, Sweden DAVID M. CEPERLEY, National Center for Supercomputing Applications and Department of Physics, University of Illinois at Urbana-Champaign, Illinois MICHAEL A. COLLINS, Research School of Chemistry, Australian National University, Canberra, Australia REINHOLD EGGER, Fakultät für Physik, Universität Freiburg, Freiburg, Germany ANTHONY K. FELTS, Department of Chemistry, Columbia University, New York RICHARD A. FRIESNER, Department of Chemistry, Columbia University, New York MARKUS P. FÜLSCHER, Department of Theoretical Chemistry, Chemical Center, Sweden K. M. HO, Ames Laboratory and Department of Physics, Iowa State University, Ames, Iowa C. H. MAK, Department of Chemistry, University of Southern California, Los Angeles, California PER-ÅKE Malmqvist, Department of Theoretical Chemistry, Chemical Center, Sweden MANUELA MERCHán, Departamento de Química Física, Universitat de Valéncia, Spain LUBOS MITAS, National Center for Supercomputing Applications and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Illinois STEFANO OSS, Dipartimento di Fisica, Università di Trento and Istituto Nazionale di Fisica della Materia, Unità di Trento, Italy KRISTINE PIERLOOT, Department of Chemistry, University of Leuven, Belgium W. THOMAS POLLARD, Department of Chemistry, Columbia University, New York BJÖRN O. ROOS, Department of Theoretical Chemistry, Chemical Center, Sweden LUIS SERRANO-ANDRÉS, Department of Theoretical Chemistry, Chemical Center, Sweden PER E. M. SIEGBAHN, Department of Physics, University of Stockholm, Stockholm, Sweden WALTER THIEL, Institut für Organische Chemie, Universität Zürich, Zürich, Switzerland GREGORY A. VOTH, Department of Chemistry, University of Pennsylvania, Pennsylvania C. Z. Wang, Ames Laboratory and Department of Physi

45321.39 RUR

/ / похожие

Подробнее

Quantum Chemistry: A concise introduction for students of ...

The book can be used to teach introductory quantum chemistry to second-or third-year undergraduates either as a stand-alone one-semester course or as part of a physical chemistry or materials science course. Researchers in related fields can use the book as a quick introduction or refresher.

Ajit THAKKAR | Professor Emeritus | PhD, Queen's ...

Ajit J. Thakkar ran a research lab at the Department of Chemistry, University of New Brunswick in Fredericton, Canada from 1984. Ajit's research program dealt with the theoretical and computational...

Quantum Chemistry (Second Edition) - Book - IOPscience

Ajit Thakkar received his PhD from Queen's University, Canada and has spent the last 33 years at the University of New Brunswick where he is currently Professor Emeritus of Chemistry. He has received several academic awards and honors for his 265 published research papers on the theoretical and computational prediction of molecular properties and interactions. He is the Editor of the journal,

Quantum Chemistry - Book - IOPscience

Ajit J Thakkar. View chapter, Molecular symmetry PDF chapter, Molecular symmetry Download ePub chapter, Molecular symmetry. Pages 2-1 to 2-7. Basic quantum mechanics. Ajit J Thakkar. View chapter, Basic quantum mechanics PDF chapter, Basic quantum mechanics Download ePub chapter, Basic quantum mechanics. Pages 3-1 to 3-9 . Translation and vibration. Ajit J Thakkar. View chapter, Translation ...

‪Ajit J. Thakkar‬ - ‪Google Scholar‬

Ajit J. Thakkar. Professor Emeritus of Chemistry, University of New Brunswick. Verified email at unb.ca - Homepage. quantum chemistry molecular properties molecular interactions. Articles Cited by Co-authors. Title. Sort. Sort by citations Sort by year Sort by title. Cited by. Cited by. Year; Intermolecular forces via hybrid Hartree–Fock–SCF plus damped dispersion (HFD) energy calculations ...

Ajit J. Thakkar - UNB

Ajit J. Thakkar: Research Publications. See also my Google Scholar, ResearcherID and Orcid records. Years: |15-19|10-14|05-09|00-04|95-99|90-94|85-89|80-84|76-79|72-75 Last update: 2019 Mar. 27 Quantum chemistry (Second edition) A concise introduction for students of physics, chemistry, biochemistry and materials science. A. J. Thakkar. Morgan & Claypool, San Rafael, CA (2017) Personal copies ...

Ajit J. Thakkar - UNB

Ajit J. Thakkar, PhD, FCIC Professor Emeritus Department of Chemistry University of New Brunswick Fredericton, NB E3B 5A3 Canada Tel: 1-506-453-4781 Fax: 1-506-453-4981

A.J. Thakkar - Editors - Computational and Theoretical ...

Ajit Thakkar was born in India and moved to Canada as a teenager. After earning a PhD in theoretical chemistry from Queen's University and initial faculty positions at Queen's and Waterloo, he moved to the University of New Brunswick in Fredericton. He has published more than 250 papers on the theoretical prediction of molecular properties and interactions. He has received several awards ...

Quantum Chemistry : Ajit J Thakkar (author ...

This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure ...

Ajit J. Thakkar - ResearchGate

Ajit J. Thakkar ran a research lab at the Department of Chemistry, University of New Brunswick in Fredericton, Canada from 1984. Ajit's research program dealt with the theoretical and ...

Quantum Chemistry: A Concise Introduction by Thakkar, Ajit ...

Buy Quantum Chemistry: A Concise Introduction by Thakkar, Ajit J. online on Amazon.ae at best prices. Fast and free shipping free returns cash on delivery available on eligible purchase.

Quantum Chemistry: A Concise Introduction for Students of ...

Quantum Chemistry: A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science (IOP Concise Physics) (English Edition) eBook: Thakkar, Ajit J.: Amazon.de: Kindle-Shop

Quantum Chemistry: A Concise Introduction for Students of ...

Quantum Chemistry: A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science (IOP Concise Physics) - Kindle edition by Thakkar, Ajit J.. Download it once and read it on your Kindle device, PC, phones or tablets. Use features like bookmarks, note taking and highlighting while reading Quantum Chemistry: A Concise Introduction for Students of Physics, Chemistry ...

swissbib : Quantum chemistry / Ajit J Thakkar (Buch (online)).

Quantum chemistry a concise introduction for students of physics, chemistry, biochemistry and materials science. Gespeichert in: Verfasser / Beitragende: Ajit J Thakkar . Ort, Verlag, Jahr: San Rafael, CA : Morgan & Claypool, 2014. Beschreibung: Online-Ressource. Format: Buch (online) Online Zugang: Online via SFX . ID: 330557734 Weitere Ausgaben. Standorte & bestellen; Beschreibung; Ähnliche

Quantum Chemistry 1st edition | 9781627054164 ...

Quantum Chemistry A concise introduction for students of physics, chemistry, biochemistry and materials science 1st Edition by Ajit J Thakkar and Publisher Morgan & Claypool. Save up to 80% by choosing the eTextbook option for ISBN: 1731627057011. The print version of this textbook is ISBN: 9781627054164, 1627054162.

Quantum Chemistry: A Concise Introduction Iop Concise ...

Quantum Chemistry: A Concise Introduction (Iop Concise Physics: A Morgan & Claypool Publication) by Ajit J. Thakkar (2014-06-14) | | ISBN: | Kostenloser Versand für alle Bücher mit Versand und Verkauf duch Amazon.

Quantum Chemistry eBook by Ajit J. Thakkar - 9781627057011 ...

Quantum Chemistry. by Ajit J. Thakkar. IOP Concise Physics: A Morgan & Claypool Publication . Thanks for Sharing! You submitted the following rating and review. We'll publish them on our site once we've reviewed them. 1. by on September 22, 2020. OK, close 0. 0. Write your review. eBook Details . Morgan & Claypool Publishers Release Date: June 1, 2014; Imprint: IOP Concise Physics; ISBN ...

Quantum Chemistry: A Concise Introduction (IOP Concise ...

Ajit Thakkar received his PhD from Queen's University, Canada and has spent the last 33 years at the University of New Brunswick where he is currently Professor Emeritus of Chemistry.

Quantum Chemistry: A Concise Introduction: Thakkar, Ajit J ...

Ga naar primaire content.nl. Hallo, Inloggen

Double and quadruple zeta contracted Gaussian basis sets ...

Robert J. Doerksen and Ajit J. Thakkar, Polarizabilities of heteroaromatic molecules: Azines revisited, International Journal of Quantum Chemistry, 60, 7, (1633-1642), (1998). Wiley Online Library

Quantum Chemistry: A Concise Introduction (IOP Concise ...

Quantum Chemistry: A Concise Introduction (IOP Concise Physics) (English Edition) eBook: Thakkar, Ajit J.: Amazon.nl: Kindle Store Selecteer uw cookievoorkeuren We gebruiken cookies en vergelijkbare tools om uw winkelervaring te verbeteren, onze services aan te bieden, te begrijpen hoe klanten onze services gebruiken zodat we verbeteringen kunnen aanbrengen, en om advertenties weer te geven.

Quantum Chemistry, 2nd Edition 2nd edition | 9781681746364 ...

Quantum Chemistry, 2nd Edition A concise introduction for students of physics, chemistry, biochemistry and materials science 2nd Edition by Ajit J Thakkar and Publisher Morgan & Claypool. Save up to 80% by choosing the eTextbook option for ISBN: 1731681746388. The print version of this textbook is ISBN: 9781681746364, 1681746360.

Quantum Chemistry: A Concise Introduction (IOP Concise ...

Quantum Chemistry: A Concise Introduction (IOP Concise Physics) eBook: Thakkar, Ajit J.: Amazon.co.uk: Kindle Store

Quantum Chemistry : Ajit J. Thakkar : 9781627054164

Quantum Chemistry by Ajit J. Thakkar, 9781627054164, available at Book Depository with free delivery worldwide.

Quantum Chemistry: A Concise Introduction (IOP Concise ...

Quantum Chemistry: A Concise Introduction (IOP Concise Physics) (English Edition) eBook: Thakkar, Ajit J.: Amazon.it: Kindle Store

Quantum Chemistry: A Concise Introduction for Students and ...

This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry. The book can be used to teach introductory quantum chemistry to second-or third-year...

Quantum Chemistry: A Concise Introduction by Thakkar, Ajit ...

Buy Quantum Chemistry: A Concise Introduction by Thakkar, Ajit online on Amazon.ae at best prices. Fast and free shipping free returns cash on delivery available on eligible purchase.

Quantum Chemistry: A Concise Introduction (IOP Concise ...

Lee ahora en digital con la aplicación gratuita Kindle. Selecciona Tus Preferencias de Cookies. Utilizamos cookies y herramientas similares para mejorar tu experiencia de compra, prestar nuestros servicios, entender cómo los utilizas para poder mejorarlos, y para mostrarte anuncios.

Quantum chemistry : a concise introduction for students of ...

Get this from a library! Quantum chemistry : a concise introduction for students of physics, chemistry, biochemistry, and materials science. [Ajit J Thakkar]

Quantum chemistry - swissbib.ch

|a Thakkar |D Ajit J. 245: 1: 0 |a Quantum chemistry |b a concise introduction for students of physics, chemistry, biochemistry and materials science |c Ajit J Thakkar 260 |a San Rafael, CA |b Morgan & Claypool |c 2014 300 |a Online-Ressource 336 |a Text |b txt |2 rdacontent/ger 337

Quantum Chemistry: A Concise Introduction: Thakkar, Ajit J ...

Saltar al contenido principal.com.mx. Hola, Identifícate

Quantum Chemistry: A Concise Introduction for Students of ...

Lee ahora en digital con la aplicación gratuita Kindle.

Quantum Chemistry eBook by Ajit Thakkar - 9781681746388 ...

Quantum Chemistry. by Ajit Thakkar. IOP Concise Physics . Thanks for Sharing! You submitted the following rating and review. We'll publish them on our site once we've reviewed them. 1. by on September 30, 2020. OK, close 0. 0. Write your review. eBook Details. Morgan & Claypool Publishers Release Date: October 3, 2017; Imprint: IOP Concise Physics; ISBN: 9781681746388; Language: English ...

Amazon.it: Quantum Chemistry: A Concise Introduction ...

Scopri Quantum Chemistry: A Concise Introduction di Ajit J. Thakkar: spedizione gratuita per i clienti Prime e per ordini a partire da 29€ spediti da Amazon.

Polarizabilities of Aromatic Five-Membered Rings: Azoles ...

Robert J. Doerksen, Ajit J. Thakkar. Polarizabilities of heteroaromatic molecules: Azines revisited. International Journal of Quantum Chemistry 1996 , 60 (7) , 1633-1642.

International Journal of Quantum Chemistry

Reviews in Quantum Chemistry; Tutorials in Quantum Chemistry; Software News and Updates; Cover Gallery; Cover Story; #Freetoread Issues; SANIBEL Proceedings; Twitter: @WileyCTChem; Wiley Job Network; Virtual Issue for DFT; Jobs; A fresh look at the computation of spherically averaged electron momentum densities for wave functions built from Gaussian-type functions . Ajit J. Thakkar 1,* and ...

Quantum Chemistry: A Concise Introduction for Students of ...

Quantum Chemistry: A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science (IOP Concise Physics) eBook: Ajit J. Thakkar: Amazon.ca: Kindle Store

Quantum Chemistry: A Concise Introduction for Students of ...

Quantum Chemistry: A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science (IOP Concise Physics) eBook: Thakkar, Ajit J.: Amazon.co.uk: Kindle Store

楽天Kobo電子書籍ストア: Quantum Chemistry - A Concise Introduction ...

Quantum Chemistry - A Concise Introduction, Second Edition - Ajit Thakkar - 楽天Koboなら漫画、小説、ビジネス書、ラノベなど電子書籍がスマホ、タブレット、パソコン用無料アプリで今すぐ読める。

Quantum Chemistry: A Concise Introduction for Students of ...

Achetez et téléchargez ebook Quantum Chemistry: A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science (IOP Concise Physics) (English Edition): Boutique Kindle - Physics : Amazon.fr

Quantum Chemistry - Ajit J Thakkar - Englische E-Books ...

Quantum Chemistry von Ajit J Thakkar - Englische E-Books aus der Kategorie Physik, Astronomie günstig bei exlibris.ch kaufen & sofort downloaden.

Quantum Chemistry: A Concise Introduction (IOP Concise ...

Quantum Chemistry: A Concise Introduction (IOP Concise Physics) (English Edition) eBook: Thakkar, Ajit J.: Amazon.com.mx: Tienda Kindle

Quantum chemistry : a concise introduction for students of ...

Get this from a library! Quantum chemistry : a concise introduction for students of physics, chemistry, biochemistry and materials science. [Ajit J Thakkar; Morgan & Claypool Publishers,; Institute of Physics (Great Britain),] -- This book provides non-specialists with a basic understanding of the underlying concepts of quantum chemistry. It is both a text for second- or third-year ...

5th Grade Dol For Common Core - tracking.sql02.occupy ...

manual htc pc49100 manual quantum chemistry a concise introduction ajit j thakkar In this age of modern era, the use of internet must be maximized. Yeah, internet will help us very much not only for important thing but also for daily activities. Many people now, from any level can use internet. The sources of internet connection can also be enjoyed in many places. As one of the benefits is to ...

楽天Kobo電子書籍ストア: Quantum Chemistry - A Concise Introduction ...

Quantum Chemistry - A Concise Introduction - Ajit J. Thakkar - 楽天Koboなら漫画、小説、ビジネス書、ラノベなど電子書籍がスマホ、タブレット、パソコン用無料アプリで今すぐ読める。

Quantum Chemistry : A Concise Introduction for Students of ...

Free 2-day shipping. Buy Quantum Chemistry : A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science at Walmart.com

Ajit Mookerjee Arts of India

Группа авторов Quantum Information and Computation for Chemistry


Examines the intersection of quantum information and chemical physics The Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics. This volume of the series explores the latest research findings, applications, and new research paths from the quantum information science community. It examines topics in quantum computation and quantum information that are related to or intersect with key topics in chemical physics. The reviews address both what chemistry can contribute to quantum information and what quantum information can contribute to the study of chemical systems, surveying both theoretical and experimental quantum information research within the field of chemical physics. With contributions from an international team of leading experts, Volume 154 offers seventeen detailed reviews, including: Introduction to quantum information and computation for chemistry Quantum computing approach to non-relativistic and relativistic molecular energy calculations Quantum algorithms for continuous problems and their applications Photonic toolbox for quantum simulation Vibrational energy and information transfer through molecular chains Tensor networks for entanglement evolution Reviews published in Advances in Chemical Physics are typically longer than those published in journals, providing the space needed for readers to fully grasp the topic: the fundamentals as well as the latest discoveries, applications, and emerging avenues of research. Extensive cross-referencing enables readers to explore the primary research studies underlying each topic.

20150.91 RUR

/ / похожие

Подробнее

Ajit C. Tamhane Predictive Analytics

Группа авторов Computational Methods in Lanthanide and Actinide Chemistry


The f-elements and their compounds often possess an unusually complex electronic structure, governed by the high number of electronic states arising from open f-shells as well as large relativistic and electron correlation effects. A correct theoretical description of these elements poses the highest challenges to theory. Computational Methods in Lanthanide and Actinide Chemistry summarizes state-of-the-art electronic structure methods applicable for quantum chemical calculations of lanthanide and actinide systems and presents a broad overview of their most recent applications to atoms, molecules and solids. The book contains sixteen chapters, written by leading experts in method development as well as in theoretical investigations of f-element systems. Topics covered include: Relativistic configuration interaction calculations for lanthanide and actinide anions Study of actinides by relativistic coupled cluster methods Relativistic all-electron approaches to the study of f- element chemistry Relativistic pseudopotentials and their applications Gaussian basis sets for lanthanide and actinide elements Applied computational actinide chemistry This book will serve as a comprehensive reference work for quantum chemists and computational chemists, both those already working in, and those planning to enter the field of quantum chemistry for f-elements. Experimentalists will also find important information concerning the capabilities of modern quantum chemical methods to assist in the interpretation or even to predict the outcome of their experiments.

16087.88 RUR

/ / похожие

Подробнее

Группа авторов Reviews in Computational Chemistry


The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 29 include: Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials Science: Recent Progress and Emerging Applications Discovering New Materials via a priori Crystal Structure Prediction Introduction to Maximally Localized Wannier Functions Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding

18979.1 RUR

/ / похожие

Подробнее

2020 High PPFD 2.5 umol/j DIY 600W Samsung LM301H QB288 Quantum Tech V3 Board Led Grow Lights Meanwell driver,7 years warranty

Steven Bachrach M. Computational Organic Chemistry


The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry The Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers: Fundamentals of organic chemistry Pericyclic reactions Diradicals and carbenes Organic reactions of anions Solution-phase organic chemistry Organic reaction dynamics The final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition. Readers interested in exploring individual topics in greater depth should turn to the book’s ancillary website www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.

12005.05 RUR

/ / похожие

Подробнее

Paul Sanghera Quantum Physics for Scientists and Technologists. Fundamental Principles and Applications for Biologists, Chemists, Computer Scientists, and Nanotechnologists


Quantum Physics for Scientists and Technologists is a self-contained, comprehensive review of this complex branch of science. The book demystifies difficult concepts and views the subject through non-physics fields such as computer science, biology, chemistry, and nanotechnology. It explains key concepts and phenomena in the language of non-physics majors and with simple math, assuming no prior knowledge of the topic. This cohesive book begins with the wavefunction to develop the basic principles of quantum mechanics such as the uncertainty principle and wave-particle duality. Comprehensive coverage of quantum theory is presented, supported by experimental results and explained through applications and examples without the use of abstract and complex mathematical tools or formalisms. From there, the book: Takes the mystery out of the Schrodinger equation, the fundamental equation of quantum physics, by applying it to atoms Shows how quantum mechanics explains the periodic table of elements Introduces the quantum mechanical concept of spin and spin quantum number, along with Pauli's Exclusion Principle regarding the occupation of quantum states Addresses quantum states of molecules in terms of rotation and vibration of diatomic molecules Explores the interface between classical statistical mechanics and quantum statistical mechanics Discusses quantum mechanics as a common thread through different fields of nanoscience and nanotechnology Each chapter features real-world applications of one or more quantum mechanics principles. «Study Checkpoints» and problems with solutions are presented throughout to make difficult concepts easy to understand. In addition, pictures, tables, and diagrams with full explanations are used to present data and further explain difficult concepts. This book is designed as a complete course in quantum mechanics for senior undergraduates and first-year graduate students in non-physics majors. It also applies to courses such as modern physics, physical chemistry and nanotechnology. The material is also accessible to scientists, engineers, and technologists working in the fields of computer science, biology, chemistry, engineering, and nanotechnology.

12935.67 RUR

/ / похожие

Подробнее

Maitland Jones Reviews of Reactive Intermediate Chemistry


The chemistry of reactive intermediates is central to a modern mechanistic and quantitative understanding of organic chemistry. Moreover, it underlies a significant portion of modern synthetic chemistry and is integral to a molecular view of biological chemistry. Reviews in Reactive Intermediate Chemistry presents an up-to-date, authoritative guide to this fundamental topic. Although it follows Reactive Intermediate Chemistry by the same authors, it serves as a free-standing resource for the entire chemical and biochemical community. The book includes: Relevant, practical applications Coverage of such topics as mass spectrometry methods, reactive intermediates in interstellar medium, quantum mechanical tunnelling, solvent effects, reactive intermediates in biochemical processes, and excited state surfaces Discussions of emerging areas, particularly those involving dynamics and theories Concluding sections identifying key directions for future research are provided at the end of each chapter

16751.23 RUR

/ / похожие

Подробнее

Hendrik Hameka F. Quantum Mechanics


A unique introductory text on quantum mechanics, from basic principles to historical perspective. * Includes description of the historical developments that led to the discovery of QM, often left out of other textbooks. * Emphasizes basic concepts that were essential in this discovery, placing them in context and making them more understandable to students. * Written in an easy-to-understand style and assuming no prior knowledge of the topic, this book provides a solid foundation for future study of quantum chemistry. * Includes problem sets for student use.

9580.77 RUR

/ / похожие

Подробнее
trepgardeaka.tk — Каталог цен и описаний на компьютерную и бытовую технику, товары для офис и дома, электронику, товаров для сада и дачи. Мы занимаемся поиском лучших цен в интернет магазинах по всей России, знаем где купить Ajit J Thakkar Quantum Chemistry по оптимальной цене в онлайн-магазинах. На нашем сайте trepgardeaka.tk предоставлена вся необходимая информация для правильной покупки Ajit J Thakkar Quantum Chemistry — фотографии товаров, отзывы пользователей, поиск по модели и производителю, наименованию или модели, инструкции по эксплуатации, а так же экспертные обзоры, сайты предлагающие покупу онлайн с доставкой заказа в ваш город.