LEADER 04002nam 2200781z- 450 001 9910674048503321 005 20231214133549.0 035 $a(CKB)5400000000042747 035 $a(oapen)https://directory.doabooks.org/handle/20.500.12854/68608 035 $a(EXLCZ)995400000000042747 100 $a20202105d2020 |y 0 101 0 $aeng 135 $aurmn|---annan 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aChemical Bonding in Crystals and Their Properties 210 $aBasel, Switzerland$cMDPI - Multidisciplinary Digital Publishing Institute$d2020 215 $a1 electronic resource (144 p.) 311 $a3-03936-170-8 311 $a3-03936-171-6 330 $aUnravelling an intricate network of interatomic interactions and their relations to different behaviors of chemical compounds is key to the successful design of new materials for both existing and novel applications, from medicine to innovative concepts of molecular electronics and spintronics. X-ray crystallography has proven to be very helpful in addressing many important chemical problems in modern materials science and biosciences. Intertwined with computational techniques, it provides insights into the nature of chemical bonding and the physicochemical properties (including optical, magnetic, electrical, mechanical, and others) of crystalline materials, otherwise accessible by experimental techniques that are not so readily available to chemists. In addition to the advanced approaches in charge density analysis made possible by X-ray diffraction, the information collected over the years through this technique (which is easily mined from huge databases) has tremendous use in the design of new materials for medicine, gas storage, and separation applications as well as for electronic devices. This Special Issue contains two reviews and five articles that cover very different aspects of ?composition?structure? and ?structure?property? relations identified by X-ray diffraction and complementary techniques (from conventional IR and Raman spectroscopies to cutting-edge quantum chemical calculations) and their use in crystal engineering and materials science. 606 $aResearch & information: general$2bicssc 610 $aorganofluorine compounds 610 $apolymorphism 610 $aQTAIM 610 $aNCI 610 $aquantum chemical calculations 610 $alattice energy 610 $aintermolecular interactions 610 $aF...F interactions 610 $aboron cages 610 $adihydrogen bonds 610 $ahirshfeld surface 610 $acambridge structural database 610 $acrystal structures 610 $aknowledge-based analysis 610 $astructure-property relations 610 $asupramolecular chemistry 610 $achalcogen bond 610 $ahalogen bond 610 $atriiodide anion 610 $aRaman spectroscopy 610 $athermal analysis 610 $athiazolo[2,3-b][1,3]thiazinium salts 610 $aRNA structural motifs 610 $abase-base interactions 610 $aclassification of base arrangement 610 $aRNA crystallographic structures 610 $achiral thiophosphorylated thioureas 610 $achirality control 610 $anickel(II) complexes 610 $aX-ray single crystal diffraction 610 $aX-ray crystallography 610 $ain situ crystallization 610 $aHirshfeld surface analyzes 610 $alattice energies 610 $apacking motifs 610 $apolymorph stability 615 7$aResearch & information: general 700 $aVologzhanina$b Anna V$4edt$01339018 702 $aNelyubina$b Yulia V$4edt 702 $aVologzhanina$b Anna V$4oth 702 $aNelyubina$b Yulia V$4oth 906 $aBOOK 912 $a9910674048503321 996 $aChemical Bonding in Crystals and Their Properties$93059541 997 $aUNINA