Introduction to computational chemistry. (2017)

• Record Type: Book
• Further Information: Note: Frank Jensen.
• Authors: Jensen, Frank
• Contents: Introduction -- Force field methods -- Hartree--Fock Theory -- Electron correlation methods -- Basis sets -- Density functional methods -- Semi-empirical methods -- Valence bond methods -- Relativistic methods -- Wave function analysis -- Molecular properties -- Illustrating the concepts -- Optimization techniques -- Statistical mechanics and transition state theory -- Simulation techniques -- Qualitative theories -- Mathematical methods -- Statistics and QSAR -- Concluding remarks.
• Publisher Details: Chichester, UK Hoboken, NJ : Wiley
• Publication Date: 2017
• Extent: 1 online resource
• Subjects: 541.0285; Chemistry, Physical and theoretical -- Data processing; Chemistry, Physical and theoretical -- Mathematics; SCIENCE -- Chemistry -- Physical & Theoretical; Chemistry, Physical and theoretical -- Data processing; Chemistry, Physical and theoretical -- Mathematics; Electronic books
• Languages: English
• ISBNs: 9781118825952; 1118825950; 9781118825983; 1118825985
• Related ISBNs: 9781118825990; 1118825993
• Notes: Note: Description based on print version record and CIP data provided by publisher.
• 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.