LEADER 04685nam 22008415 450 001 9910298614903321 005 20200701011137.0 010 $a3-662-44581-6 024 7 $a10.1007/978-3-662-44581-5 035 $a(CKB)3710000000342626 035 $a(EBL)1967823 035 $a(SSID)ssj0001424278 035 $a(PQKBManifestationID)11789925 035 $a(PQKBTitleCode)TC0001424278 035 $a(PQKBWorkID)11383613 035 $a(PQKB)10090973 035 $a(DE-He213)978-3-662-44581-5 035 $a(MiAaPQ)EBC1967823 035 $a(PPN)183520610 035 $a(EXLCZ)993710000000342626 100 $a20150123d2015 u| 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aTheoretical Modeling of Inorganic Nanostructures $eSymmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires /$fby R.A. Evarestov 205 $a1st ed. 2015. 210 1$aBerlin, Heidelberg :$cSpringer Berlin Heidelberg :$cImprint: Springer,$d2015. 215 $a1 online resource (678 p.) 225 1 $aNanoScience and Technology,$x1434-4904 300 $aDescription based upon print version of record. 311 $a3-662-44580-8 320 $aIncludes bibliographical references and index. 327 $aClassification of 1D Structures -- Symmetry of Monoperiodic Systems -- LCAO Methods for Simulations on Electronic and Dynamic Properties of 1D Structures -- Applications -- Simulations on Inorganic Single-Wall Nanotubes -- Simulations on Inorganic Multi-Wall Nanotubes and Related Nanostructures -- Simulations on Inorganic Nanoribbons and Related Nanostructures -- Simulations on Inorganic Nanowires and Related Nanostructures. 330 $aThis book deals with the theoretical and computational simulation of monoperiodic nanostructures for different classes of inorganic substances. These simulations are related to their synthesis and experimental studies. A theoretical formalism is developed to describe 1D nanostructures with symmetric shapes and morphologies. Three types of models are considered for this aim: (i) nanotubes (rolled from 2D nanolayers and described within the formalism of line symmetry groups); (ii) nanoribbons (obtained from 2D nanolayers by their cutting along the chosen direction of translation); (iii) nanowires (obtained from 3D lattice by its sectioning along the crystalline planes parallel to the chosen direction of translation). Quantum chemistry ab-initio methods applied for LCAO calculations on electronic and vibrational properties of 1D nanostructures are thoroughly described. Understanding of theoretical aspects presented here enlarges the possibilities for synthesis of monoperiodic nanostructures with predictable morphology and better interpretation of their properties. 410 0$aNanoScience and Technology,$x1434-4904 606 $aNanoscience 606 $aNanoscience 606 $aNanostructures 606 $aChemistry, Physical and theoretical 606 $aNanotechnology 606 $aNanochemistry 606 $aChemistry, Physical and theoretical 606 $aNanoscale Science and Technology$3https://scigraph.springernature.com/ontologies/product-market-codes/P25140 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aNanotechnology$3https://scigraph.springernature.com/ontologies/product-market-codes/Z14000 606 $aNanotechnology and Microengineering$3https://scigraph.springernature.com/ontologies/product-market-codes/T18000 606 $aNanochemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C33000 606 $aPhysical Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C21001 615 0$aNanoscience. 615 0$aNanoscience. 615 0$aNanostructures. 615 0$aChemistry, Physical and theoretical. 615 0$aNanotechnology. 615 0$aNanochemistry. 615 0$aChemistry, Physical and theoretical. 615 14$aNanoscale Science and Technology. 615 24$aTheoretical and Computational Chemistry. 615 24$aNanotechnology. 615 24$aNanotechnology and Microengineering. 615 24$aNanochemistry. 615 24$aPhysical Chemistry. 676 $a530 676 $a541 676 $a541.2 676 $a620.5 676 $a620115 700 $aEvarestov$b R.A$4aut$4http://id.loc.gov/vocabulary/relators/aut$0860913 906 $aBOOK 912 $a9910298614903321 996 $aTheoretical Modeling of Inorganic Nanostructures$91921243 997 $aUNINA