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Inside Back Cover: A Nexus between Theory and Experiment: Non‐Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]uril⋅Guest Binding Interactions (Chem. Eur. J. 48/2016)
Authors:Jiří Hostaš  Dr. David Sigwalt  Marina Šekutor  Haresh Ajani  Dr. Matúš Dubecký  Prof. Jan Řezáč  Dr. Peter Y. Zavalij  Dr. Liping Cao  Christian Wohlschlager  Prof. Kata Mlinarić‐Majerski  Prof. Lyle Isaacs  Prof. Robert Glaser  Prof. Pavel Hobza
Affiliation:1. Institute of Organic Chemistry and Biochemistry, Prague 6, Czech Republic;2. Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, Prague, Czech Republic;3. Department of Chemistry and Biochemistry, University of Maryland, College Park, MD, USA;4. Department of Organic Chemistry and Biochemistry, Ru?er Bo?kovi? Institute, Zagreb, Croatia;5. Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Palacky University, Olomouc, Czech Republic;6. Scientific Computing Unit, Johannes Kepler University Linz, Linz, Austria;7. Institut für Organische Chemie, Johannes Kepler Universit?t Linz, Linz, Austria), Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel
Abstract:
Keywords:adamantane-/diamantane-skeleton guests  biomimetic complexes  BLYP-D3 quantum mechanical calculations  cucurbit[n]uril  host–  guest complexes  primary ammonium loops
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