Hiroko Satoh Koic Exploration on Quantum Chemical Potential Energy S (Hardback)

Description: Further DetailsTitle: Exploration on Quantum Chemical Potential Energy SurfacesCondition: NewSubtitle: Towards the Discovery of New ChemistryEAN: 9781839164903ISBN: 9781839164903Publisher: Royal Society of ChemistryFormat: HardbackRelease Date: 12/12/2022Description: Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible geometrical arrangements (isomers) of these models. Yet the chemical properties of different isomers can vary hugely. Therefore, to understand the world of chemistry we need to ask what kind of isomers can be produced from a given atomic composition, how are isomers converted into each other, how do they decompose into smaller pieces, and how can they be made from smaller pieces? The answers to these questions will help us to discover new chemistry and new molecules. A potential energy surface (PES) describes a system, such as a molecule, based on geometrical parameters. The mathematical properties of the PES can be used to calculate probable isomer structures as well as how they are formed and how they might behave. Exploration on Quantum Chemical Potential Energy Surfaces focuses on the PES search based on quantum chemical calculations. It describes how to explore the chemical world on PES, discusses fundamental methods and specific techniques developed for efficient exploration on PES, and demonstrates several examples of the PES search for chemical structures and reaction routes.Language: EnglishCountry/Region of Manufacture: GBItem Height: 234mmItem Length: 156mmItem Weight: 559gAuthor: Hiroko Satoh, Koichi OhnoGenre: Science Nature & MathBook Series: Theoretical and Computational Chemistry SeriesItem Width: 17mmRelease Year: 2022 Missing Information?Please contact us if any details are missing and where possible we will add the information to our listing.

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Book Title: Exploration on Quantum Chemical Potential Energy Surfaces

Title: Exploration on Quantum Chemical Potential Energy Surfaces

Subtitle: Towards the Discovery of New Chemistry

EAN: 9781839164903

ISBN: 9781839164903

Release Date: 12/12/2022

Release Year: 2022

Country/Region of Manufacture: GB

Genre: Science Nature & Math

Number of Pages: 276 Pages

Publication Name: Exploration on Quantum Chemical Potential Energy Surfaces : Towards the Discovery of New Chemistry

Language: English

Publisher: Royal Society of Real Chemistry, T.H.E.

Subject: Chemistry / Physical & Theoretical

Item Height: 0.7 in

Publication Year: 2022

Type: Textbook

Item Weight: 44.2 Oz

Item Length: 9.2 in

Subject Area: Science

Author: Koichi Ohno, Hiroko Satoh

Item Width: 6.2 in

Series: Theoretical and Computational Chemistry Ser.

Format: Hardcover