LEADER 00000cam a2200637Ka 4500 001 ocn813298655 003 OCoLC 005 20160527041308.8 006 m o d 007 cr cn||||||||| 008 121018s2011 enka ob 001 0 eng d 020 9781849732680|q(electronic book) 020 184973268X|q(electronic book) 035 (OCoLC)813298655 037 T3396|bRoyal Society of Chemistry|nhttp://www.rsc.org/spr 040 UKRSC|beng|epn|cUKRSC|dOCLCQ|dE7B|dYDXCP|dN$T|dDEBSZ |dOCLCQ 049 RIDW 050 4 QC176.8.N35|bC66 2011 072 7 SCI|x050000|2bisacsh 072 7 TEC|x027000|2bisacsh 082 04 620.50285|222 090 QC176.8.N35|bC66 2011 245 00 Computational nanoscience /|cedited by Elena Bichoutskaia. 264 1 Cambridge, UK :|bRSC Publishing,|c[2011] 264 4 |c©2011 300 1 online resource (xiv, 429 pages) :|billustrations. 336 text|btxt|2rdacontent 337 computer|bc|2rdamedia 338 online resource|bcr|2rdacarrier 340 |gpolychrome|2rdacc 347 text file|2rdaft 490 1 RSC theoretical and computational chemistry,|x2041-3181 ; |vno. 4 504 Includes bibliographical references and index. 505 00 |tAlgorithms for predicting the physical properties of nanocrystals and large clusters /|rJames R. Chelikowsky -- |tRational design of mixed nanoclusters : metal shells supported and shaped by molecular cores /|rFedor Y. Naumkin --|tSelf-assembly of nanoclusters : an energy landscape perspective /|rDwaipayan Chakrabarti, Szilard N. Fejer and David J. Wales --|tPhase transition under confinement /|rJayant K. Singh, Hugh Docherty and Peter T. Cummings --|tSimulating thermomechanical phenomena of nanoscale systems /|rP. Alex Greaney and Jeffrey C. Grossman --|tComputational electrodynamics methods / |rNadine Harris [and others] --|tElectron transport theory for large systems /|rStefano Sanvito --|tTheoretical strategies for functionalisation and encapsulation of nanotubes /|rGotthard Seifert [and others] --|tDensity functional calculations of NMR chemical shifts in carbon nanotubes /|rEva Zurek and Jochen Autschbach -- |tComputational study of the formation of inorganic nanotubes /|rMark Wilson --|tNative and irradiation- induced defects in graphene : what can we learn from atomistic simulations? /|rJani Kotakoski and Arkady V. Krasheninnikov --|tAtomic-, nano-, and mesoscale origins of graphite's response to energetic particles /|rMalcolm I. Heggie and Christopher D. Latham. 520 Nanoscience is one of the most exciting areas of modern physical science as it encompasses a range of techniques rather than a single discipline. It stretches across the whole spectrum of science including: medicine and health, physics, engineering and chemistry. Providing a deep understanding of the behaviour of matter at the scale of individual atoms and molecules, it provides a crucial step towards future applications of nanotechnology. The remarkable improvements in both theoretical methods and computational techniques make it possible for modern computational nanoscience to achieve a new level of chemical accuracy. It is now a discipline capable of leading and guiding experimental efforts rather than just following others.Computational Nanoscience addresses modern challenges in computational science, within the context of the rapidly evolving field of nanotechnology. It satisfies the need for a comprehensive, yet concise and up-to-date, survey of new developments and applications presented by the world's leading academics. It documents major, recent advances in scientific computation, mathematical models and theory development that specifically target the applications in nanotechnology. Suitable for theoreticians, researchers and students, the book shows readers what computational nanoscience can achieve, and how it may be applied in their own work. The twelve chapters cover topics including the concepts behind recent breakthroughs, the development of cutting edge simulation tools, and the variety of new applications. 588 0 Print version record. 590 eBooks on EBSCOhost|bEBSCO eBook Subscription Academic Collection - North America 650 0 Nanostructures|0https://id.loc.gov/authorities/subjects/ sh91006390|xData processing.|0https://id.loc.gov/ authorities/subjects/sh99005487 650 0 Nanoscience|0https://id.loc.gov/authorities/subjects/ sh2002000242|xData processing.|0https://id.loc.gov/ authorities/subjects/sh99005487 650 0 Nanochemistry|0https://id.loc.gov/authorities/subjects/ sh2006005257|xData processing.|0https://id.loc.gov/ authorities/subjects/sh99005487 650 0 Computer algorithms.|0https://id.loc.gov/authorities/ subjects/sh91000149 650 7 Nanostructures.|2fast|0https://id.worldcat.org/fast/ 1032635 650 7 Nanoscience.|2fast|0https://id.worldcat.org/fast/1032629 650 7 Nanochemistry.|2fast|0https://id.worldcat.org/fast/1741250 650 7 Computer algorithms.|2fast|0https://id.worldcat.org/fast/ 872010 655 4 Electronic books. 700 1 Bichoutskaia, Elena.|0https://id.loc.gov/authorities/names /nb2011021912 776 08 |iPrint version:|tComputational nanoscience.|dCambridge, UK : RSC Publishing, ©2011|z9781849731331 |w(OCoLC)748773031 830 0 RSC theoretical and computational chemistry series ; |0https://id.loc.gov/authorities/names/no2009190759|v4. 856 40 |uhttps://rider.idm.oclc.org/login?url=http:// search.ebscohost.com/login.aspx?direct=true&scope=site& db=nlebk&AN=519486|zOnline eBook. Access restricted to current Rider University students, faculty, and staff. 856 42 |3Instructions for reading/downloading this eBook|uhttp:// guides.rider.edu/ebooks/ebsco 901 MARCIVE 20231220 948 |d20160607|cEBSCO|tebscoebooksacademic|lridw 994 92|bRID