Isbn: 9781032619286 - quantum chemical and molecular dynamics simulations for beginners (19 risultati)

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Condizione: As New. Unread book in perfect condition.

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HRD. Condizione: New. New Book. Shipped from UK. Established seller since 2000.

HRD. Condizione: New. New Book. Shipped from UK. Established seller since 2000.

Condizione: New.

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Hardcover. Condizione: Brand New. 216 pages. 9.18x6.12x9.21 inches. In Stock.

Hardcover. Condizione: new. Hardcover. This book provides an in-depth exploration of the dynamic field of computational chemistry. Spanning seven meticulously crafted chapters, it begins by laying a solid foundation in quantum chemistry and electronic structure theory, introducing essential tools and software that underpin computational chemistry calculations. The journey continues with a comprehensive examination of transition state analysis for interpreting reaction mechanisms, followed by an insightful discussion on modern solvation studies using QM/MM techniques and the practical implementation of hybrid models. This book concludes with an engaging dive into molecular dynamics simulations, enriched by real-world case studies utilizing NAMD and VMD to illustrate the complex behavior of molecular systems.Key features: Focuses on quantum chemical calculations designed for beginners Reviews the use of atomistic molecular dynamics simulations for various systems Presents detailed analysis of calculations and result analysis on real systems Includes usage of widely accepted software packages such as Gaussian and NAMD Explores basic parameters associated with designing a chemical system This book is aimed at researchers and senior undergraduate students in chemical engineering, chemistry, and materials science. This book provides an in-depth exploration of the dynamic field of computational chemistry. Spanning seven meticulously crafted chapters, it begins by laying a solid foundation in quantum chemistry and electronic structure theory, introducing essential tools and software that underpin computational chemistry calculations. This item is printed on demand. Shipping may be from multiple locations in the US or from the UK, depending on stock availability.…

Hardcover. Condizione: new. Hardcover. This book provides an in-depth exploration of the dynamic field of computational chemistry. Spanning seven meticulously crafted chapters, it begins by laying a solid foundation in quantum chemistry and electronic structure theory, introducing essential tools and software that underpin computational chemistry calculations. The journey continues with a comprehensive examination of transition state analysis for interpreting reaction mechanisms, followed by an insightful discussion on modern solvation studies using QM/MM techniques and the practical implementation of hybrid models. This book concludes with an engaging dive into molecular dynamics simulations, enriched by real-world case studies utilizing NAMD and VMD to illustrate the complex behavior of molecular systems.Key features: Focuses on quantum chemical calculations designed for beginners Reviews the use of atomistic molecular dynamics simulations for various systems Presents detailed analysis of calculations and result analysis on real systems Includes usage of widely accepted software packages such as Gaussian and NAMD Explores basic parameters associated with designing a chemical system This book is aimed at researchers and senior undergraduate students in chemical engineering, chemistry, and materials science. This book provides an in-depth exploration of the dynamic field of computational chemistry. Spanning seven meticulously crafted chapters, it begins by laying a solid foundation in quantum chemistry and electronic structure theory, introducing essential tools and software that underpin computational chemistry calculations. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.…

Hardback. Condizione: New. This item is printed on demand. New copy - Usually dispatched within 5-9 working days.

Hardcover. Condizione: new. Hardcover. This book provides an in-depth exploration of the dynamic field of computational chemistry. Spanning seven meticulously crafted chapters, it begins by laying a solid foundation in quantum chemistry and electronic structure theory, introducing essential tools and software that underpin computational chemistry calculations. The journey continues with a comprehensive examination of transition state analysis for interpreting reaction mechanisms, followed by an insightful discussion on modern solvation studies using QM/MM techniques and the practical implementation of hybrid models. This book concludes with an engaging dive into molecular dynamics simulations, enriched by real-world case studies utilizing NAMD and VMD to illustrate the complex behavior of molecular systems.Key features: Focuses on quantum chemical calculations designed for beginners Reviews the use of atomistic molecular dynamics simulations for various systems Presents detailed analysis of calculations and result analysis on real systems Includes usage of widely accepted software packages such as Gaussian and NAMD Explores basic parameters associated with designing a chemical system This book is aimed at researchers and senior undergraduate students in chemical engineering, chemistry, and materials science. This book provides an in-depth exploration of the dynamic field of computational chemistry. Spanning seven meticulously crafted chapters, it begins by laying a solid foundation in quantum chemistry and electronic structure theory, introducing essential tools and software that underpin computational chemistry calculations. This item is printed on demand. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability.…

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Dhirendra Kumar Mishra earned a Doctorate in Chemical Engineering from the Indian Institute of Technology, Guwahati, Assam, India. During his doctoral studies, he specifically concentrated on the integration of ionic liquids and eutectic.…

Buch. Condizione: Neu. Quantum Chemical and Molecular Dynamics Simulations for Beginners | Dhirendra Kumar Mishra (u. a.) | Buch | Einband - fest (Hardcover) | Englisch | 2025 | CRC Press | EAN 9781032619286 | Verantwortliche Person für die EU: Libri GmbH, Europaallee 1, 36244 Bad Hersfeld, gpsr[at]libri[dot]de | Anbieter: preigu Print on Demand. …