Computational catalysis. (2012)

• Record Type: Book
• Further Information: Note: Editors, Aravind Asthagiri and Michael J. Janik.
• Other Names: Asthagiri, Aravind; Janik, Michael J
• Contents: Charge transfer or reactive potentials; Ab initio thermodynamics; First-principles based microkinetic modelling; Adaptive kinetic Monte Carlo; Computational catalyst screening; Enantioselective catalysis; Dynamics of Surface Reactions; Advances in DFT functionals for catalysis; Modelling highly correlated systems in heterogeneous catalysis
• Publisher Details: Cambridge : Royal Society of Chemistry
• Publication Date: 2012
• Extent: 1 online resource
• Subjects: 541/.395; SCIENCE / Chemistry / Industrial & Technical; Catalysts; Cheminformatics; SCIENCE -- Chemistry -- Physical & Theoretical; Catalysts; Cheminformatics; SCIENCE / Chemistry / Physical & Theoretical; Quantum & theoretical chemistry; Electronic books
• Languages: English
• ISBNs: 9781849734905; 1849734909
• Related ISBNs: 9781849734516; 1849734518
• 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.