Download or read book A Spectroscopic and Theoretical Investigation of Molecular Machine Components written by Johnny Mark Skelton and published by . This book was released on 2006 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopic techniques and computational methods are used to investigate the vibrational motions of the commo-bis-7,8-dicarbollide nickel (III) and commo-bis-7,8-dicarbollide nickel (IV) metallacarboranes. The commo-bis-7,8-dicarbollide nickel (IV) species exhibits two large amplitude modes, a torsional or twist motion, and a ligand-metal-ligand stretch. This species also has a large energy gap between the electronic absorption band and the low temperature emission band. Theoretical computations of total energies of the ground and excited states as a function of rotational angle provide an explanation of this phenomenon. Computation of electron density contour plots of the HOMO/LUMO frontier orbitals provide an explanation of driving forces for the two large amplitude motions. The commo-bis-7,8-dicarbollide nickel (IV) species exhibits a resonance de-enhancement effect and computational work provides a model of the Raman profile that accommodates this loss of intensity. The commo-bis-7,8-dicarbollide nickel (IV) species with a variety of substituent group/substitution site configurations was investigated in terms of the large amplitude torsional motion. The presence of this mode depends on the substitution site and does not appear to depend on the substituent group. Spectroscopic techniques and theoretical methods were used to investigate the vibrational modes of the 1,5-dioxynaphthalene and cyclobis(paraquat- p-phenylene) cyclophane charge transfer complex. Raman spectra show that certain modes in the charge transfer complex undergo large intensity enhancements, under resonance conditions, as compared to spectra of the individual components. The resonance Raman spectrum of the charge transfer complex reveals one mode not found in the individual components. The 1,5-dioxynaphthalene and cyclobis(paraquat-p-phenylene) cyclophane moieties are two components of a five component (pentad) supramolecular machine. A linear "shuttle" motion of the cyclophane from a tetrathiafulvalene (TTF) recognition site to a 1,5-dioxynaphthalene (Np) recognition site is driven by photons harvested by a prophyrin-C60 dyad. The appearance of a transient electronic absorption band at 527 nm would provide evidence of the formation of the charge transfer complex and, therefore, movement of the cyclophane from the TTF moiety to the Np moiety.

Download or read book Concepts For Molecular Machines written by Jubaraj Bikash Baruah and published by World Scientific Publishing Company. This book was released on 2017-08-11 with total page 178 pages. Available in PDF, EPUB and Kindle. Book excerpt: Actions of living beings at any stage of life are of general interest; molecular machines can be a replica of such activities. Stimuli guided movements and shape changes of molecules are one of the rapidly developing areas on which fundamental principles of molecular machine banks. Thus, the understanding of intriguing concepts of molecular machines is essential. Miniaturization, efficiency, stability and robustness in performing activities are some of the important points associated with molecular machines. Using molecular machines for practical purposes will further strengthen fundamentals of science and technology and also guide future market economy. Recent advent of techniques to handle materials at microscopic level has benefited the topic of molecular machines and is ready to be taken to a higher level as compared to other competing topics of science and technology. Molecular machines is a contemporary hot topic with future scope. The Nobel Prize in the year 2016 was shared by three scientists Prof. Ben Feringa, Prof. J Fraser Stoddart and Prof. Jean-Pierre Sauvage for their contribution to the topic. This book on molecular machines is aimed to cater to the need of graduate students and researchers by providing the fundamental aspects on molecular machines.

Download or read book Theoretical Investigation of Molecular Properties and Reactivity written by Jiani Hu and published by . This book was released on 1990 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Faculty and Student Programs written by Argonne National Laboratory. Division of Educational Programs and published by . This book was released on 1991 with total page 118 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Molecular Machines written by Benoît Roux and published by World Scientific. This book was released on 2011 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ch. 1. Molecular behavior in biological cells : the bacterial cytoplasm as a model system / Adrian H. Elcock and Andrew S. Thomas -- ch. 2. The light-harvesting apparatus in purple photosynthetic bacteria : introduction to a quantum biological device / Johan Strumpfer [und weitere] -- ch. 3. DNA polymerases : structure, function, and modeling / Tamar Schlick -- ch. 4. Information processing by nanomachines : decoding by the ribosome / Karissa Y. Sanbonmatsu, Scott C. Blanchard and Paul C. Whitford -- ch. 5. Chaperonins : the machines which fold proteins / Del Lucent, Martin C Stumpe and Vijay S Pande -- ch. 6. Muscle and myosin / Ronald S. Rock -- ch. 7. Protein kinases : phosphorylation machines / Elaine E. Thompson, Susan S. Taylor and J. Andrew McCammon -- ch. 8. Computational studies of Na+/H+ antiporter : structure, dynamics and function / Assaf Ganoth, Raphael Alhadeff and Isaiah T. Arkin -- ch. 9. Membrane transporters : molecular machines coupling cellular energy to vectorial transport across the membrane / Zhijian Huang [und weitere] -- ch. 10. ABC transporters / E.P. Coll and D.P. Tieleman -- ch. 11. Sodium-coupled secondary transporters : insights from structure-based computations / Elia Zomot [und weitere] -- ch. 12. Voltage-gated ion channels : the machines responsible for the nerve impulse / Benoit Roux and Francisco Bezanilla -- ch. 13. Voltage-gated channels and the heart / Jonathan R. Silva and Yoram Rudy

Download or read book Molecular Structures and Vibrations written by Sven Josef Cyvin and published by . This book was released on 1972 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Technical Abstract Bulletin written by and published by . This book was released on 1965 with total page 914 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Vibration rotational Spectroscopy and Molecular Dynamics written by Du?an Papou?ek and published by World Scientific. This book was released on 1997 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 652 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.

Download or read book OAR written by and published by . This book was released on 1967 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Concepts for Molecular Machines written by Jubaraj Bikash Baruah and published by World Scientific Publishing Company. This book was released on 2017 with total page 163 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ultrafast spectroscopy is an advanced spectroscopic technique which enables us to capture events (mostly microscopic) in a very rapid time scale (spanning from nanoseconds (10–9 sec) to attosecond (10–18 sec)). The introduction of this spect

Download or read book Molecular Ensemble Junctions written by and published by . This book was released on 2021 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Spectroscopic Studies on Chemical and Photo responsive Molecular Machines and Their Bio applications written by Yuen Agnes Lau and published by . This book was released on 2011 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Theoretical Studies of Molecular Vibrational Spectra Oled Materials and Carbon Nanotube Confined Chemistry written by Mathew D. Halls and published by . This book was released on 2001 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Air Force Research Resum s written by and published by . This book was released on with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book A Physico chemical and Theoretical Investigation of Some Intra molecular Interactions written by M. Hurst and published by . This book was released on 1983 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Current Chemical Papers written by Chemical Society (Great Britain) and published by . This book was released on 1962 with total page 1054 pages. Available in PDF, EPUB and Kindle. Book excerpt: A classified world list of new papers in pure chemistry.