{"product_id":"quantum-chemical-and-molecular-dynamics-dhirendra-kumar-mishra-9781032619286","title":"Quantum Chemical and Molecular Dynamics Simulations for Beginners","description":"\u003cp\u003eThis 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.\u003c\/p\u003e\u003cp\u003eKey features: \u003c\/p\u003e\u003cul\u003e \u003cp\u003e \u003c\/p\u003e \u003cli\u003eFocuses on quantum chemical calculations designed for beginners \u003c\/li\u003e \u003cli\u003eReviews the use of atomistic molecular dynamics simulations for various systems \u003c\/li\u003e \u003cli\u003ePresents detailed analysis of calculations and result analysis on real systems \u003c\/li\u003e \u003cli\u003eIncludes usage of widely accepted software packages such as Gaussian and NAMD \u003c\/li\u003e \u003cli\u003eExplores basic parameters associated with designing a chemical system \u003c\/li\u003e \u003c\/ul\u003e\u003cp\u003eThis book is aimed at researchers and senior undergraduate students in chemical engineering, chemistry, and materials science.\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Dhirendra Kumar Mishra,Nabendu Paul,Nipu Kumar Das\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 1032619287\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9781032619286\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e CRC Press\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 12\/23\/2025\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 236\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Hardcover\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 1.16lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 9.21h x 6.14w x 0.63d","brand":"Dhirendra Kumar Mishra","offers":[{"title":"Hardcover","offer_id":48014230421759,"sku":"9781032619286","price":120.0,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_f138cfa4-0387-4d63-9cb1-be010a09a94d.jpg?v=1767747497","url":"https:\/\/www.whiterainbookhouse.com\/products\/quantum-chemical-and-molecular-dynamics-dhirendra-kumar-mishra-9781032619286","provider":"WR Book House","version":"1.0","type":"link"}