Opening book details…
About this book
The application of QM/MM simulations in heterogeneous catalysis by Gabriel Adrian Bramley & Owain Tomos Beynon & Pavel Viktorovich Stishenko & Andrew James Logsdail is a book available to read on EtoBox.
- Author
- Gabriel Adrian Bramley & Owain Tomos Beynon & Pavel Viktorovich Stishenko & Andrew James Logsdail
- Publisher
- Royal Society of Chemistry
- Language
- EN
More by Gabriel Adrian Bramley & Owain Tomos Beynon & Pavel Viktorovich Stishenko & Andrew James Logsdail
Similar books
- Protein Network Centralities as Descriptor for QM Region Construction in QM/MM Simulations of Enzymes — Felix Brandt & Christoph R. Jacob
- Large-scale QM/MM Free Energy Simulations of Enzyme Catalysis Reveal the Influence of Charge Transfer — Heather J. Kulik
- Analysis of the Conformational Properties of Amine Ligands at the Gold/water Interface with QM, MM and QM/MM Simulations — Dongyue Liang & Jiewei Hong & Dong Fang & Joseph W. Bennett & Sara E. Mason & Robert J. Hamers & Qiang Cui
- QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore–water Interface — Prasanth B. Ganta & Oliver K & #xfc; hn & Ashour A. Ahmed
- Atomistic QM/MM Simulations of the Strength of Covalent Interfaces in Carbon Nanotube–polymer Composites — Jacek R. Go & #x142; & #x119; biowski & James R. Kermode & Peter D. Haynes & Arash A. Mostofi
- Multiscale QM/MM Modelling of Catalytic Systems with ChemShell — You Lu & Kakali Sen & Chin Yong & David S. D. Gunn & John A. Purton & Jingcheng Guan & Alec Desmoutier & Jamal Abdul Nasir & Xingfan Zhang & Lei Zhu & Qing Hou & Joe Jackson-Masters & Sam Watts & Rowan Hanson & Harry N. Thomas & Omal Jayawardena &...