Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics /: introduction to the theory and applications of molecular and quantum mechanics. (2016)

• Record Type: Book
• Further Information: Note: Errol G. Lewars.
• Authors: Lewars, Errol
• Contents: 1. An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential Energy Surface -- 3. Molecular Mechanics -- 4. Introduction to Quantum Mechanics in Computational Chemistry -- 5. Ab Initio Calculations -- 6. Semiempirical Calculations -- 7. Density Functional Calculations -- 8. Some “Special” Topics -- 9. Selected Literature Highlights, Books, Websites, Software and Hardware -- Suggested Answers to Harder Questions -- Index.
• Edition: Third edition
• Publisher Details: Switzerland : Springer
• Publication Date: 2016
• Extent: 1 online resource (xvi, 728 pages), illustrations (some color)
• Subjects: 540.1/51; Chemistry; Chemistry -- Mathematics; Chemistry -- Data processing; Chemistry -- Data processing; Chemistry -- Mathematics; Science -- Chemistry -- General; Science -- Chemistry -- Industrial & Technical; Maths for scientists; Industrial chemistry; Chemistry_xMathematics; Chemical engineering; Science -- Chemistry -- Physical & Theoretical; Quantum & theoretical chemistry; Electronic books
• Languages: English
• ISBNs: 9783319309163; 3319309161
• Related ISBNs: 9783319309149; 3319309145
• Notes: Note: Includes bibliographical references and index.; Note: Online resource; title from PDF title page (SpringerLink, viewed October 6, 2016).
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.