LEADER 00820nam0-2200301 --450 001 9910982794403321 005 20250306101318.0 010 $a88-7078-365-0 100 $a20250306d1997----kmuy0itay5050 ba 101 0 $aita 102 $aIT 105 $a 001yy 200 1 $aLimited Inc.$fJacques Derrida 210 $aMilano$cR. Cortina$d1997 215 $aXII, 273 p.$d23 cm 225 1 $aOpere scelte di Jacques Derrida 300 $aTrad. di Nicola Perullo. 610 0 $aCritica letteraria 610 0 $aFilosofia del linguaggio 676 $a801.95$v19 700 1$aDerrida,$bJacques$0139765 801 0$aIT$bUNINA$gREICAT$2UNIMARC 901 $aBK 912 $a9910982794403321 952 $aDAM A92.24 DERJ 31$b2024/6374$fFLFBC 959 $aFLFBC 996 $aLimited inc$9214327 997 $aUNINA LEADER 04382nam 22007455 450 001 9910865258703321 005 20240615125456.0 010 $a9783031601590$b(electronic bk.) 010 $z9783031601583 024 7 $a10.1007/978-3-031-60159-0 035 $a(MiAaPQ)EBC31480670 035 $a(Au-PeEL)EBL31480670 035 $a(CKB)32306633500041 035 $a(DE-He213)978-3-031-60159-0 035 $a(OCoLC)1441203535 035 $a(EXLCZ)9932306633500041 100 $a20240615d2024 u| 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aMolecular Properties via Induced Current Densities /$fby Francesco Ferdinando Summa 205 $a1st ed. 2024. 210 1$aCham :$cSpringer Nature Switzerland :$cImprint: Springer,$d2024. 215 $a1 online resource (164 pages) 225 1 $aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5061 311 08$aPrint version: Summa, Francesco Ferdinando Molecular Properties Via Induced Current Densities Cham : Springer,c2024 9783031601583 327 $aIntroduction -- General Definitions -- Time-Independent Electron Current Density -- Time-Dependent Perturbations -- Implementation of Origin-Independent Dynamic Polarizability Density Within Coupled Cluster Response Theory -- Conclusions and Outlook. 330 $aThis book outlines past and new developments in molecular response theory in terms of static and dynamic-induced current densities and showcases an important step forward in the field of molecular density functions and their topological analysis. The book begins with a general perspective on topics such as classical Hamiltonian, quantum mechanical Hamiltonian, and topological analysis of the electron charge density, followed by an in-depth overview of time-dependent and -independent perturbations, and applications. In this book, the author presents a completely new approach that allows the interpretation of electric and magnetic properties through origin-independent density functions. Readers will also find examples of how the new origin-independent density functions are useful for rationalizing the chemical behavior of molecules interacting with impinging radiation. The concepts contained within the book are the basis for a deeper understanding of Nuclear magnetic resonance (NMR) and Electron paramagnetic resonance (EPR) spectroscopies, as well as the mechanisms that give rise to electric polarization and optical activity in chiral systems. A basic knowledge of quantum mechanics and ab initio electronic structure calculation methods such as Hartree-Fock and Density Functional Theory is required. Given its breadth, the book provides an important contribution to the field of Quantum Chemical Topology and appeals to students and researchers interested in learning more about the relationship between electrical and magnetic properties, density functions derivable from them and experimental observables. 410 0$aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5061 606 $aChemistry, Physical and theoretical 606 $aChemistry$xData processing 606 $aAtoms 606 $aMolecules 606 $aQuantum theory 606 $aChemistry, Physical and theoretical 606 $aMolecules$xModels 606 $aTheoretical Chemistry 606 $aComputational Chemistry 606 $aAtomic, Molecular and Chemical Physics 606 $aQuantum Physics 606 $aPhysical Chemistry 606 $aMolecular Modelling 615 0$aChemistry, Physical and theoretical. 615 0$aChemistry$xData processing. 615 0$aAtoms. 615 0$aMolecules. 615 0$aQuantum theory. 615 0$aChemistry, Physical and theoretical. 615 0$aMolecules$xModels. 615 14$aTheoretical Chemistry. 615 24$aComputational Chemistry. 615 24$aAtomic, Molecular and Chemical Physics. 615 24$aQuantum Physics. 615 24$aPhysical Chemistry. 615 24$aMolecular Modelling. 676 $a541.2 700 $aSumma$b Francesco Ferdinando$01742555 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 912 $a9910865258703321 996 $aMolecular Properties Via Induced Current Densities$94169305 997 $aUNINA