Hands On Physical Chemistry With Mathematica
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Hands On Physical Chemistry With Mathematica
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Author : Pasquale De Marco
language : en
Publisher: Pasquale De Marco
Release Date : 2025-07-14
Hands On Physical Chemistry With Mathematica written by Pasquale De Marco and has been published by Pasquale De Marco this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-07-14 with Science categories.
In the realm of physical chemistry, where matter and energy intertwine, lies a captivating world of atoms, molecules, and chemical processes. "Hands-On Physical Chemistry with Mathematica" invites you on an immersive journey into this fascinating realm, empowering you with the tools and knowledge to unravel the secrets of the microscopic world. Through engaging chapters and interactive examples, this comprehensive guide provides a unique blend of theoretical insights and computational tools to deepen your understanding of physical chemistry concepts. With a focus on hands-on exploration and practical applications, you'll gain mastery over the fundamental principles of thermodynamics, kinetics, electrochemistry, spectroscopy, statistical mechanics, quantum chemistry, and more. Harnessing the power of Mathematica, a versatile computational software, you'll learn to solve complex problems, visualize intricate phenomena, and explore the behavior of molecules and materials at the atomic level. Whether you're a student seeking a deeper understanding of physical chemistry, a researcher delving into the complexities of matter and energy, or a professional seeking to apply physical chemistry principles to real-world challenges, this book is your indispensable companion. With its comprehensive coverage, clear explanations, and hands-on approach, "Hands-On Physical Chemistry with Mathematica" is an invaluable resource for anyone seeking to unlock the mysteries of the physical world. As you journey through the chapters of this book, you'll uncover the profound impact of physical chemistry in shaping our understanding of diverse fields, from materials science and environmental chemistry to biological systems and cutting-edge technologies. Embark on this enlightening voyage into the realm of physical chemistry, where you'll gain the knowledge and skills to unravel the secrets of matter, energy, and the universe that surrounds us. Let "Hands-On Physical Chemistry with Mathematica" be your trusted guide as you explore the fascinating world of atoms, molecules, and chemical transformations. In this book, you'll discover: * A comprehensive overview of the fundamental principles of physical chemistry * Engaging and interactive examples that bring concepts to life * In-depth exploration of thermodynamics, kinetics, electrochemistry, spectroscopy, statistical mechanics, quantum chemistry, and more * Hands-on tutorials and exercises to reinforce your understanding * Access to a wealth of online resources, including Mathematica notebooks and datasets Whether you're a seasoned physical chemist or just beginning your journey into this captivating field, "Hands-On Physical Chemistry with Mathematica" is the ultimate resource for unlocking the secrets of the microscopic world. If you like this book, write a review!
Introduction To Computational Physical Chemistry
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Author : Joshua Schrier
language : en
Publisher: MIT Press
Release Date : 2017-06-16
Introduction To Computational Physical Chemistry written by Joshua Schrier and has been published by MIT Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-06-16 with Science categories.
This book will revolutionize the way physical chemistry is taught by bridging the gap between the traditional "solve a bunch of equations for a very simple model" approach and the computational methods that are used to solve research problems. This book will revolutionize the way physical chemistry is taught by bridging the gap between the traditional “solve a bunch of equations for a very simple model” approach and the computational methods that are used to solve research problems. While some recent textbooks include exercises using pre-packaged Hartree-Fock/DFT calculations, this is largely limited to giving students a proverbial black box. The DIY (do-it-yourself) approach taken in this book helps student gain understanding by building their own simulations from scratch. The reader of this book should come away with the ability to apply and adapt these techniques in computational chemistry to his or her own research problems, and have an enhanced ability to critically evaluate other computational results. This book is mainly intended to be used in conjunction with an existing physical chemistry text, such as McQuarrie & Simon’s Physical Chemistry: A Molecular Approach, but it is also well suited as a stand-alone text for upper level undergraduate or intro graduate computational chemistry courses.-Assumes no computational background.-Enables students to build simulations from scratch to reproduce famous literature calculations.-Teaches a variety of computational/numerical/simulation methods, applicable to solving chemical problems.-Designed to “play well” with McQuarrie & Simon’s landmark P CHEM text, but can be used with others as well.
Molecular Physical Chemistry
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Author : José J. C. Teixeira-Dias
language : en
Publisher: Springer
Release Date : 2017-01-16
Molecular Physical Chemistry written by José J. C. Teixeira-Dias and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-01-16 with Science categories.
This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases. Instead of a traditional textbook top-down approach, this book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica®), discussing the results of molecular orbital calculations (performed using Gaussian) on small molecules and turning to suitable reference works to obtain thermodynamic data. Selected Mathematica® codes are explained at the end of each chapter and cross-referenced with the text, enabling students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices and test physical models. In addition, the book presents clear and step-by-step explanations and provides detailed and complete answers to all exercises. In this way, it creates an active learning environment that can prepare students for pursuing their own research projects further down the road. Students who are not yet familiar with Mathematica® or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences. Other computer applications can alternatively be used. For every chapter learning goals are clearly listed in the beginning, so that readers can easily spot the highlights, and a glossary in the end of the chapter offers a quick look-up of important terms.
Using Computers In Chemistry And Chemical Education
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Author : Theresa Julia Zielinski
language : en
Publisher:
Release Date : 1997
Using Computers In Chemistry And Chemical Education written by Theresa Julia Zielinski and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Education categories.
Based on how computers are used in research and industry, this timely volume provides a practical curriculum for using computers in training chemists and other professionals. It spans the full range of applications, from spreadsheets to specialized software for ab initio calculations. With contributions from experts in a variety of fields, the book will be invaluable for anyone developing a college-level course in chemistry.
Hands On Start To Wolfram Mathematica
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Author : Cliff Hastings
language : en
Publisher:
Release Date : 2015
Hands On Start To Wolfram Mathematica written by Cliff Hastings and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with Computer programming categories.
For more than 25 years, Mathematica has been the principal computation environment for millions of innovators, educators, students, and others around the world. This book is an introduction to Mathematica. The goal is to provide a hands-on experience introducing the breadth of Mathematica, with a focus on ease of use. Readers get detailed instruction with examples for interactive learning and end-of-chapter exercises. Each chapter also contains authors tips from their combined 50+ years of Mathematica use.
Reviews In Computational Chemistry Volume 4
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Author : Kenny B. Lipkowitz
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-22
Reviews In Computational Chemistry Volume 4 written by Kenny B. Lipkowitz and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-22 with Science categories.
This volume in the series brings together reknowned experts in the field to present the reader with an account of the latest developments in quantum mechanics, molecular dynamics, and the teaching of computational chemistry. There are so many developments in the field of computational chemistry that it is difficult to keep track of them. The series was established to review the high volume of developments in the field. Rather than create a traditional article, each author approaches a topic to enable the reader to understand and solve problems and locate key references quickly. Each article has tutorial value. An updated compendium of software for molecular modeling appears as an appendix as in previous volumes. To the editors' knowledge, this is the most complete listing of sources of software for computational chemistry anywhere.
Symmetry Theory In Molecular Physics With Mathematica
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Author : William McClain
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-03-12
Symmetry Theory In Molecular Physics With Mathematica written by William McClain and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-03-12 with Science categories.
Prof. McClain has, quite simply, produced a new kind of tutorial book. It is written using the logic engine Mathematica, which permits concrete exploration and development of every concept involved in Symmetry Theory. It is aimed at students of chemistry and molecular physics who need to know mathematical group theory and its applications, either for their own research or for understanding the language and concepts of their field. The book begins with the most elementary symmetry concepts, then presents mathematical group theory, and finally the projection operators that flow from the Great Orthogonality are automated and applied to chemical and spectroscopic problems.
Nonlinear Physics With Mathematica For Scientists And Engineers
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Author : Richard H. Enns
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Nonlinear Physics With Mathematica For Scientists And Engineers written by Richard H. Enns and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Mathematics categories.
Nonlinear physics continues to be an area of dynamic modern research, with applications to physics, engineering, chemistry, mathematics, computer science, biology, medicine and economics. In this text extensive use is made of the Mathematica computer algebra system. No prior knowledge of Mathematica or programming is assumed. This book includes 33 experimental activities that are designed to deepen and broaden the reader's understanding of nonlinear physics. These activities are correlated with Part I, the theoretical framework of the text.
Perspective And Strategies On Newage Education And Creative Learning
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Author : Shibani Khanra Jha
language : en
Publisher: Springer Nature
Release Date : 2024-10-08
Perspective And Strategies On Newage Education And Creative Learning written by Shibani Khanra Jha and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-08 with Science categories.
This book presents the proceedings of the International Conference on Best Innovative Teaching Strategies (ICOBITS) at BITS Pilani on Feb 9-11, 2023. It brings together global academicians, researchers, and industry experts to delve into innovative teaching-learning practices. Meticulously selected and reviewed by professionals, the proceedings offer cross-cutting perspectives and strategies in education and creative learning. It is organized into four parts and covers Innovative Pedagogical Practices for Technology Enhanced Learning, Technology, Society and Industry in Higher Education, STEM Education and Cultural Studies, Gender Studies and Sustainability in Higher Education. It provides insights into assessment tools for effectively evaluating the efficiency of teaching methods. Part one explores ICT, digital classrooms, metaverse-based teaching, gamification, and AI-ML-based practices. Part two delves into the humanistic approach in technical education, social networking as an educational tool, and outcome-based assessment needs. Part three addresses future educators' requirements through multidisciplinary collaboration in STEM education. Part four discusses gender equity, structured social inclusion and cultural skills in teaching-learning practices. This book is a valuable resource for academicians, researchers, policymakers, administrators, technocrats, and developers actively engaged in education technology across disciplines such as Engineering, Sciences, Management, Humanities, and Social Sciences.
The Chemical News And Journal Of Physical Science
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Author :
language : en
Publisher:
Release Date : 1893
The Chemical News And Journal Of Physical Science written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1893 with Chemistry categories.