03181nam a2200433 a 4500001001000000003000700010005001700017006001900034007001500053008004100068020003600109020002700145035002200172035002300194035002500217035002300242035002100265040004100286050002800327082001900355245017200374260003500546300003700581504005100618505012200669520068900791520069101480590014702171650005902318650004502377650004402422650005702466655002902523700003202552710002802584797002002612856009602632999001902728EBC697508MiAaPQ20250821113838.0m     o  d |      cr cnu||||||||100706s2011    njuad   ob    001 0 eng d  a9780470930762q(electronic bk.)  z9780470487884q(print)  a(MiAaPQ)EBC697508  a(Au-PeEL)EBL697508  a(CaPaEBR)ebr10484645  a(CaONFJC)MIL320364  a(OCoLC)746321019  aMiAaPQbengerdaepncMiAaPQdMiAaPQ 4aTA418.9.N35bC6824 20110 a620/.5028522200aComputational methods for large systemsh[electronic resource] :belectronic structure approaches for biotechnology and nanotechnology /cedited by Jeffrey R. Reimers.  aHoboken, N.J. :bWiley,c2011.  axxii, 659 p. :bill. (some col.)  aIncludes bibliographical references and index.0 aA. DFT : the basic workhorse -- B. Higher-accuracy methods -- C. More-economical methods -- D. Advanced applications.  a"While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It's a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems"--cProvided by publisher.  a"Provides a simple description of modern electronic-structure techniques. Shows what techniques are pertinent for particular problems in biotechnology and nanotechnology. Provides a balanced treatment of the topics that teaches strengths and weaknesses, appropriate and inappropriate methods. Provides confidence to calculators that their results are useful for predicting new effects and for interpreting newly presented problem scenarios - reference tool for industrial scientists who develop applications as well as a teaching aid for new graduate students in computational chemistry, physics, biochemistry, biotechnology, materials science and nanoscience"--cProvided by publisher.  aElectronic reproduction. Ann Arbor, MI : ProQuest, 2018. Available via World Wide Web. Access may be limited to ProQuest affiliated libraries. 0aNanostructured materialsxComputer simulation.9334841 0aNanotechnologyxData processing.9334842 0aBiotechnologyxData processing.9334843 0aElectronicsxMaterialsxComputer simulation.9334844 4aElectronic books.9351421 aReimers, Jeffrey R.93348452 aProQuest (Firm)93348462 aProQuest (Firm)40uhttps://ebookcentral.proquest.com/lib/kuct-ebooks/detail.action?docID=697508zClick to View  c271796d271796