LEADER 01109nam a22003013i 4500 001 991000590969707536 005 20040109102249.0 008 040220s1991 it |||||||||||||||||ita 020 $a8823000726 035 $ab12640992-39ule_inst 035 $aARCHE-063934$9ExL 040 $aDip.to Scienze pedagogiche$bita$cA.t.i. Arché s.c.r.l. Pandora Sicilia s.r.l. 082 04$a331.11 245 00$aProfessionalità in transizione /$cG. Cerruti ... [et al.] ; presentazione di Giampiero Carpo e Cesare Damiano ; prefazione di Gaetano Sateriale 260 $aRoma :$bEdiesse,$c1991 300 $a219 p. ;$c21 cm 440 0$aManuali 650 4$aLavoro 700 1 $aCerruti, Giancarlo 700 1 $aCarpo, Giampiero 700 1 $aDamiano, Cesare 700 1 $aSateriale, Gaetano 907 $a.b12640992$b02-04-14$c17-03-04 912 $a991000590969707536 945 $aLE022 MP 80 D 49$g1$i2022000154048$lle022$o-$pE0.00$q-$rl$s- $t0$u0$v0$w0$x0$y.i13144406$z17-03-04 996 $aProfessionalità in transizione$9274964 997 $aUNISALENTO 998 $ale022$b17-03-04$cm$da $e-$fita$git $h0$i1 LEADER 04928nam 22006495 450 001 9910433260203321 005 20251113185904.0 010 $a3-030-64747-1 024 7 $a10.1007/978-3-030-64747-6 035 $a(CKB)4100000011728401 035 $a(DE-He213)978-3-030-64747-6 035 $a(MiAaPQ)EBC6460940 035 $a(PPN)253252806 035 $a(EXLCZ)994100000011728401 100 $a20210120d2020 u| 0 101 0 $aeng 135 $aurnn#008mamaa 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$a21st Century Challenges in Chemical Crystallography II $eStructural Correlations and Data Interpretation /$fedited by D. Michael P. Mingos, Paul R. Raithby 205 $a1st ed. 2020. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2020. 215 $a1 online resource (IX, 231 p. 109 illus., 70 illus. in color.) 225 1 $aStructure and Bonding,$x1616-8550 ;$v186 300 $aIncludes index. 311 08$a3-030-64746-3 327 $aHistorical Development of Historical Correlations -- The advent of Quantum Crystallography: Form and Structure Factors from Quantum Mechanics for Advanced Refinement and Wavefunction Fitting -- Experimental charge densities from multipole modelling ? moving into the 21st century -- Computational Studies of the Solid-State Molecular Organometallic (SMOM) Chemistry of rhodium Alkane Complexes. . 330 $aThis volume summarises recent developments and highlights new techniques which will define possible future directions for small molecule X-ray crystallography. It provides an insight into how specific aspects of crystallography are developing and shows how they may interact or integrate with other areas of science. The development of more sophisticated equipment and the massive rise in computing power has made it possible to solve the three-dimensional structure of an organic molecule within hours if not minutes. This successful trajectory has resulted in the ability to study ever more complex molecules and use smaller and smaller crystals. The structural parameters for over a million organic and organometallic compounds are now archived in the most commonly used database and this wealth of information creates a new set of problems for future generations of scientists. The volume provides some insight into how users of crystallographic structural data banks can navigate their way through a world where ?big data? has become the norm. The coupling of crystallography to quantum chemical calculations provides detailed information about electron distributions in crystals affording a much more detailed analysis of bonding than has been possible previously. In quantum crystallography, quantum mechanical wavefunctions are used to extract information about bonding and properties from the measured X-ray structure factors. The advent of quantum crystallography has resulted in form and structure factors derived from quantum mechanics which have been used in advanced refinement and wavefunction fitting. This volume describes how quantum mechanically derived atomic form factors and structure factors are constructed to allow the improved description of the diffraction experiment. It further discusses recent developments in this field and illustrates their applications with a wide range of examples. This volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. It will also be relevant for the community of computational chemists who study chemical systems. Postgraduate students entering the field will benefit from a historical introduction to the way in which scientists have used the data derived from crystallography to develop new structural and bonding models. 410 0$aStructure and Bonding,$x1616-8550 ;$v186 606 $aAnalytical chemistry 606 $aCrystallography 606 $aChemistry, Physical and theoretical 606 $aChemistry, Organic 606 $aAnalytical Chemistry 606 $aCrystallography and Scattering Methods 606 $aTheoretical Chemistry 606 $aOrganic Chemistry 615 0$aAnalytical chemistry. 615 0$aCrystallography. 615 0$aChemistry, Physical and theoretical. 615 0$aChemistry, Organic. 615 14$aAnalytical Chemistry. 615 24$aCrystallography and Scattering Methods. 615 24$aTheoretical Chemistry. 615 24$aOrganic Chemistry. 676 $a016.54532 676 $a548.3 702 $aMingos$b D. M. P.$f1944- 702 $aRaithby$b P. R$g(Paul R.), 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910433260203321 996 $a21st Century challenges in chemical crystallography II$92504541 997 $aUNINA