Green Chemistry from Supercomputers: Car–Parrinello Simulations of Emim-Chloroaluminates Ionic Liquids
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Publication:5745258
DOI10.1007/978-3-540-74739-0_11zbMath1390.92164OpenAlexW4244866045MaRDI QIDQ5745258
Barbara Kirchner, Ari P. Seitsonen
Publication date: 5 June 2018
Published in: High Performance Computing in Science and Engineering `07 (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/978-3-540-74739-0_11
Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)