03268nam 2200985z- 450 991055758350332120231214133510.0(CKB)5400000000043813(oapen)https://directory.doabooks.org/handle/20.500.12854/68536(EXLCZ)99540000000004381320202105d2021 |y 0engurmn|---annantxtrdacontentcrdamediacrrdacarrierComputational Quantum Physics and Chemistry of NanomaterialsBasel, SwitzerlandMDPI - Multidisciplinary Digital Publishing Institute20211 electronic resource (198 p.)3-0365-0134-7 3-0365-0135-5 This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary fieldResearch & information: generalbicsscBTFTATBCL-20cocrystalenergetic materialsshock sensitivitylarge-scale ab initio molecular dynamics simulationsAlNlow-dimensional materialatomic clusterelectronic structureHSE06 hybrid functionalCsPbBr3CsPb2Br5solvent polarityCTABphase transitionhigh-entropy alloysgeneralized stacking fault energyfirst-principlesinterfacial energysurface energynanoparticlesgoldab initiomolecular mechanicsfcc Nitilt Σ5(210) grain boundaryvacancySi and Al impuritygrain boundary energysegregation energydefects binding energiesmagnetismferroelectricitySnTenanoribbonnanoflakescritical sizedensity-functional theorythermodynamicssilverdecahedronexcess energyab initio calculationsdye-sensitized solar cellsazobenzenedensity functional theorytopological insulatorsmagnetic dopingdefectsenvironment and healthfirst-principles physicsDFThazardous gasResearch & information: generalŠob Mojmíredt1295542Šob MojmírothBOOK9910557583503321Computational Quantum Physics and Chemistry of Nanomaterials3023600UNINA05527nam 22007215 450 991014491580332120200702043632.03-540-69576-110.1007/BFb0032729(CKB)1000000000234712(SSID)ssj0000326887(PQKBManifestationID)11912772(PQKBTitleCode)TC0000326887(PQKBWorkID)10316350(PQKB)10429171(DE-He213)978-3-540-69576-9(PPN)155179446(EXLCZ)99100000000023471220121227d1997 u| 0engurnn|008mamaatxtccrStatic Analysis[electronic resource] 4th International Symposium, SAS '97, Paris, France, September 8-10, 1997, Proceedings /edited by Pascal van Hentenryck1st ed. 1997.Berlin, Heidelberg :Springer Berlin Heidelberg :Imprint: Springer,1997.1 online resource (XII, 424 p.) Lecture Notes in Computer Science,0302-9743 ;1302Bibliographic Level Mode of Issuance: Monograph3-540-63468-1 On sparse evaluation representations -- The effects of the precision of pointer analysis -- Fast and effective procedure inlining -- Set-sharing is redundant for pair-sharing -- An algebraic approach to sharing analysis of logic programs -- Logical optimality of groundness analysis -- Towards a cost-effective estimation of uncaught exceptions in SML programs -- Program analysis using mixed term and set constraints -- Set-based analysis for logic programming and tree automata -- Denotational abstract interpretation of functional logic programs -- Termination analysis for Mercury -- The power of QDDs (extended abstract) -- Type-based analysis of communication for concurrent programming languages -- True concurrency via abstract interpretation -- Static analysis of interaction nets for distributed implementations -- Type-directed flow analysis for typed intermediate languages -- Exact flow analysis -- Satisfying subtype inequalities in polynomial space -- Static analyses of congruence properties on rational numbers (extended abstract) -- Effective specialization of realistic programs via use sensitivity -- Coalescing conditional branches into efficient indirect jumps -- Automatic termination analysis for partial functions using polynomial orderings -- TEA: Automatically proving termination of programs in a non-strict higher-order functional language -- Semantic analyzer of modula-programs -- Abstract interpretation for improving WAM code -- Attribute grammars and functional programming deforestation -- Data dependences as abstract interpretations -- Abstract interpretation: A theory of approximate computation -- On the desirable link between theory and practice in abstract interpretation (extended abstract) -- Abstract interpretation based static analysis parameterized by semantics -- Can abstract interpretation become a mainstream compiler technology? -- Combining abstract interpretation and partial evaluation (brief overview) -- Practical compile-time analysis.This book presents the refereed proceedings of the 4th International Symposium on Static Analysis, SAS '97, held in Paris, France, in September 1997. The 23 revised papers were selected from 61 high-quality submissions on the basis of at least three reviews. Also included are one system demonstration, three posters, and six invited contributions by leading scientists. The papers are organized in topical sections on procedural languages, logic programming, concurrency, and termination.Lecture Notes in Computer Science,0302-9743 ;1302Computer architectureProgramming languages (Electronic computers)Software engineeringComputer logicComputer programmingComputer System Implementationhttps://scigraph.springernature.com/ontologies/product-market-codes/I13057Programming Languages, Compilers, Interpretershttps://scigraph.springernature.com/ontologies/product-market-codes/I14037Software Engineering/Programming and Operating Systemshttps://scigraph.springernature.com/ontologies/product-market-codes/I14002Logics and Meanings of Programshttps://scigraph.springernature.com/ontologies/product-market-codes/I1603XProgramming Techniqueshttps://scigraph.springernature.com/ontologies/product-market-codes/I14010Software Engineeringhttps://scigraph.springernature.com/ontologies/product-market-codes/I14029Computer architecture.Programming languages (Electronic computers)Software engineering.Computer logic.Computer programming.Computer System Implementation.Programming Languages, Compilers, Interpreters.Software Engineering/Programming and Operating Systems.Logics and Meanings of Programs.Programming Techniques.Software Engineering.005.13/1Hentenryck Pascal vanedthttp://id.loc.gov/vocabulary/relators/edtInternational Static Analysis SymposiumBOOK9910144915803321Static Analysis2995248UNINA