Download e-book for kindle: Catenanes, Rotaxanes, and Knots by J. P. Sauvage, Christiane Dietrich-Buchecker

By J. P. Sauvage, Christiane Dietrich-Buchecker

ISBN-10: 3527295720

ISBN-13: 9783527295722

ISBN-10: 3527613730

ISBN-13: 9783527613731

This trip in the course of the attention-grabbing global of molecular topology makes a speciality of catenanes, rotaxanes and knots, their synthesis, homes, and functions and the idea of interlocking and interpenetrating molecules. approximately 100 years of development have handed because Willstatter's speculative imaginative and prescient of a molecule including interlinked earrings. yet even at the present time the synthesis of such buildings are a problem to the creativity of man-made chemists. those molecules are usually not purely of educational curiosity, because they happen certainly. In such molecules as DNA, knots and similar topological positive aspects play a key position in biochemical tactics. furthermore, wide learn at the houses of polyrotaxanes and polycatenanes exhibit strength purposes as molecular magnets, wires or switches. Twelve foreign top specialists within the box current the vast and ambitious spectrum of the topology of those molecules, from theoretical features and new pathways in synthesis to probing their houses. All researchers operating during this interdisciplinary sector, no matter if natural, inorganic or polymer chemists, in addition to fabric scientists, will welcome this complete and up to date paintings as an inspiring resource for artistic examine principles.

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Blundell, S. , Johnson, W. , Sapirstein, J. (1991b), Phys. Rev. A 43, 3407. Blundell, S. , Mohr, P. , Johnson, W. , (1993), Phys. Rev. A 48, 2615. Dzuba, V. , Johnson, W. R. (1998), Phys. Rev. A 57, 2459. , Ishikawa, Y. (1994), Phys. Rev. A 49, 1724. , Ishikawa, Y. (1995), Phys. Rev. Lett. 74, 1079. Grant, I P. (1989), in "Relativistic Quantum Electrodynamic and Weak Interaction Effects in Atoms", edited by W. R. Johnson, P. J. Mohr, and J. Sucher, AIP Conf. Proc. No. 189 (AIP, New York, 1989), p.

This work has been supported by the Swiss National Science Foundation and the ETH Research Foundation. References 'R. Car R, M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471. K. A. Madden, Mol. Phys. 70 (1990) 921. " G. Galli, A. P. J. 261. 3 G. Galli, M. Parrinello, Computer Simulations in Material Science, M. Meyer and V. 282. 4 G. Pastore, E. Smargiassi, F. Buda, Phys. Rev. A 44 (1991) 6334. C. P. C. A. D. Joannopulos, Rev. Mod. Phys. 64 (1992) 1945. E. Tuckerman, P. J. Ungar, T. L. Klein, J. Phys.

Rothlisberger Figure 5. View of the active site of Human Carbonic Anhydrase II. 347 Several full-quantum and mixed QM/MM hybrid simulations have been performed for this system. 16 In addition, it was also possible to directly observe part of die enzymatic reaction cycle, namely the initial proton transfer steps from the zinc-bound water towards the proton acceptor group His64 located in the upper channel of the active site. 347 The fact that part of the enzymatic cycle could be observed spontaneously showed that AIMD simulations are capable of providing a very promising possibility to find feasible reaction pathways for complex systems for which the reaction mechanism is not known a priori.

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Catenanes, Rotaxanes, and Knots by J. P. Sauvage, Christiane Dietrich-Buchecker


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