Chemistry as a Game of Molecular Construction

Chemistry as a Game of Molecular Construction
Author: Sason Shaik
Publisher: John Wiley & Sons
Total Pages: 529
Release: 2016-02-04
Genre: Science
ISBN: 1119001439

Chemistry as a Game of Molecular Construction: The Bond-Click Way utilizes an innovative and engaging approach to introduce students to the basic concepts and universal aspects of chemistry, with an emphasis on molecules’ beauty and their importance in our lives. • Offers a unique approach that portrays chemistry as a window into mankind’s material-chemical essence • Reveals the beauty of molecules through the “click” method, a teaching methodology comprised of the process of constructing molecules from building blocks • Styles molecular construction in a way that reveals the universal aspect of chemistry • Allows students to construct molecules, from the simple hydrogen molecule all the way to complex strands of DNA, thereby showing the overarching unity of matter • Provides problems sets and solutions for each chapter

New Directions in the Modeling of Organometallic Reactions

New Directions in the Modeling of Organometallic Reactions
Author: Agustí Lledós
Publisher: Springer Nature
Total Pages: 276
Release: 2020-11-05
Genre: Science
ISBN: 3030569969

This book focuses on the computational modeling of organometallic reactivity. In recent years, computational methods, particularly those based on Density Functional Theory (DFT) have been fully incorporated into the toolbox of organometallic chemists’ methods. Nowadays, energy profiles of multistep processes are routinely calculated, and detailed mechanistic pictures of the reactions arise from these calculations. This type of analysis is increasingly performed even by experimentalists themselves. The volume aims to connect established computational organometallics with the more recent theoretical and methodological developments applied to this field. This would allow broadening of the simulation scope toward emergent organometallic areas (as ligand design or photoactivated processes), to narrow the gap between calculations and experiments (microkinetic models) and even to discover new reactions (automated methods). Given the broad interest and extensive application that computational methods have reached within the organometallic community, this new volume will attract the interest of both experimental and computational organometallic chemists.

Computational Quantum Chemistry

Computational Quantum Chemistry
Author: Joseph J W McDouall
Publisher: Royal Society of Chemistry
Total Pages: 252
Release: 2015-11-09
Genre: Science
ISBN: 1782625860

Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.

Molecular Visions (Organic, Inorganic, Organometallic) Molecular Model Kit #1 by Darling Models to accompany Organic Chemistry

Molecular Visions (Organic, Inorganic, Organometallic) Molecular Model Kit #1 by Darling Models to accompany Organic Chemistry
Author: Darling Models
Publisher: McGraw-Hill Education
Total Pages: 0
Release: 2000-04-07
Genre: Science
ISBN: 9780964883710

Molecular models are as vital a tool for the study of chemistry as calculators are for the study of mathematics. Molecular Visions models may be assembled in infinite combinations enabling the user to construct not only familiar configurations but also undiscovered possibilities. Models are intended to inspire the imagination, stimulate thought, and assist the visualization process. They present the user with a solid form of an abstract object that can otherwise only be visualized by the chemist. While chemistry textbooks use letters and graphics to describe molecules, molecular models make them "real". MOLECULAR VISIONS Organic Kit #1 is in a green plastic box, 9"x4"x2"

Modelling Molecular Structure and Reactivity in Biological Systems

Modelling Molecular Structure and Reactivity in Biological Systems
Author: Kevin Naidoo
Publisher: Royal Society of Chemistry
Total Pages: 305
Release: 2007-10-31
Genre: Science
ISBN: 1847555373

Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems. It is ideal for researchers in the field of computational chemistry interested in its application to biological systems.

Quantum Chemistry

Quantum Chemistry
Author: Hinne Hettema
Publisher: World Scientific
Total Pages: 520
Release: 2000
Genre: Science
ISBN: 981022771X

Chemical physics is presently a very active field, where theoretical computation and accurate experimentation have led to a host of exciting new results. Among these are the possibility of state-to-state reactive scattering, the insights in non-adiabatic chemistry, and, from the computational perspective, the use of explicitly correlated functions in quantum chemistry. Many of these present-day developments use ideas, derivations and results that were obtained in the very early days of quantum theory, in the 1920s and 1930s.Much of this material is hard to study for readers not familiar with German. This volume presents English translations of some of the most important papers. The choice of material is made with the relevance to present-day researchers in mind. Included are seminal papers by M Born and J R Oppenheimer, J von Neumann and E Wigner, E A Hylleraas, F London, F Hund, H A Kramers, R de L Kronig and F Hückel, among others.

Impact of Digital Transformation in Teacher Training Models

Impact of Digital Transformation in Teacher Training Models
Author: Afonso, Ana
Publisher: IGI Global
Total Pages: 313
Release: 2022-02-11
Genre: Education
ISBN: 1799895408

A new reality of teaching and learning through technology is continually on the rise creating the need for governments, organizations, teachers, students, and families to adapt. Students are realizing the need to become more autonomous, parents are having to become more present, and teachers are assuming new roles in virtual education. Although this new era of education is marked by innovation at all levels, most of these changes have not been thoroughly planned or structured, thus creating a difficult experience for all the educational stakeholders. Impact of Digital Transformation in Teacher Training Models conducts a critical discussion on teacher preparedness in the digital transformation of teaching practices. It promotes practitioner reflections on the role of institutional policies, teacher digital literacy, the digital divide, and how the ongoing digital transformation of society will induce the need for a paradigm shift in teacher training models. Covering topics such as emergency remote education, emerging pedagogies, and massive open online courses, this book is an essential resource for policymakers, government officials, education administration, pre-service teachers, educators, researchers, and academicians.

Visualization: Theory and Practice in Science Education

Visualization: Theory and Practice in Science Education
Author: John K. Gilbert
Publisher: Springer Science & Business Media
Total Pages: 326
Release: 2007-12-05
Genre: Education
ISBN: 1402052677

External representations (pictures, diagrams, graphs, concrete models) have always been valuable tools for the science teacher. This book brings together the insights of practicing scientists, science education researchers, computer specialists, and cognitive scientists, to produce a coherent overview. It links presentations about cognitive theory, its implications for science curriculum design, and for learning and teaching in classrooms and laboratories.

Modelling-based Teaching in Science Education

Modelling-based Teaching in Science Education
Author: John K. Gilbert
Publisher: Springer
Total Pages: 279
Release: 2016-05-30
Genre: Science
ISBN: 3319290398

This book argues that modelling should be a component of all school curricula that aspire to provide ‘authentic science education for all’. The literature on modelling is reviewed and a ‘model of modelling’ is proposed. The conditions for the successful implementation of the ‘model of modelling’ in classrooms are explored and illustrated from practical experience. The roles of argumentation, visualisation, and analogical reasoning, in successful modelling-based teaching are reviewed. The contribution of such teaching to both the learning of key scientific concepts and an understanding of the nature of science are established. Approaches to the design of curricula that facilitate the progressive grasp of the knowledge and skills entailed in modelling are outlined. Recognising that the approach will both represent a substantial change from the ‘content-transmission’ approach to science teaching and be in accordance with current best-practice in science education, the design of suitable approaches to teacher education are discussed. Finally, the challenges that modelling-based education pose to science education researchers, advanced students of science education and curriculum design, teacher educators, public examiners, and textbook designers, are all outlined.