Transient changes in molecular geometries and how to model them : simulating chemical reactions of metal complexes in solution to explore dynamics, solvation, coherence, and the link to experiment /: simulating chemical reactions of metal complexes in solution to explore dynamics, solvation, coherence, and the link to experiment. ([2015])

• Record Type: Book
• Further Information: Note: Asmus Ougaard Dohn.
• Authors: Dohn, Asmus Ougaard
• Contents: Introduction and Background -- Treating Relativistic Effects in Transition Metal Complexes -- X-Ray Scattering from Purely Classical MD -- Direct Dynamic Simulations of Ir2(Dimen)4(2+).-Directs Dynamics Simulations of the Ru=Co Complex -- Summary -- Appendix.
• Publisher Details: Cham : Springer
• Publication Date: 2015
• Copyright Date: 2015
• Extent: 1 online resource (xxxviii, 146 pages), illustrations (some color)
• Subjects: 541/.394; Chemistry; Molecular dynamics -- Simulation methods; Chemical reactions -- Simulation methods; Molecular structure; Metal complexes; Spectroscopy; Chemistry, Physical organic; SCIENCE -- Chemistry -- Physical & Theoretical; Chemical reactions -- Simulation methods; Metal complexes; Molecular dynamics -- Simulation methods; Molecular structure; Chemistry; Physical Sciences & Mathematics; Physical & Theoretical Chemistry; Science -- Spectroscopy & Spectrum Analysis; Spectrum analysis, spectrochemistry, mass spectrometry; Physical chemistry; Quantum & theoretical chemistry; Chemistry; Theoretical and Computational Chemistry; Spectroscopy/Spectrometry; Physical Chemistry; Electronic books
• Languages: English
• ISBNs: 9783319187471; 3319187473; 3319187465; 9783319187464
• Related ISBNs: 9783319187464
• Notes: Note: Includes bibliographical references.; Note: Online resource; title from PDF title page (SpringerLink, viewed June 12, 2015).
• 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.