LEADER 03268nam  2200985z- 450 
001 9910557583503321
005 20231214133510.0
035   $a(CKB)5400000000043813
035   $a(oapen)https://directory.doabooks.org/handle/20.500.12854/68536
035   $a(EXLCZ)995400000000043813
100   $a20202105d2021      |y             0
101 0 $aeng
135   $aurmn|---annan
181   $ctxt$2rdacontent
182   $cc$2rdamedia
183   $acr$2rdacarrier
200 10$aComputational Quantum Physics and Chemistry of Nanomaterials
210   $aBasel, Switzerland$cMDPI - Multidisciplinary Digital Publishing Institute$d2021
215   $a1 electronic resource (198 p.)
311   $a3-0365-0134-7 
311   $a3-0365-0135-5 
330   $aThis 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 field
606   $aResearch & information: general$2bicssc
610   $aBTF
610   $aTATB
610   $aCL-20
610   $acocrystal
610   $aenergetic materials
610   $ashock sensitivity
610   $alarge-scale ab initio molecular dynamics simulations
610   $aAlN
610   $alow-dimensional material
610   $aatomic cluster
610   $aelectronic structure
610   $aHSE06 hybrid functional
610   $aCsPbBr3
610   $aCsPb2Br5
610   $asolvent polarity
610   $aCTAB
610   $aphase transition
610   $ahigh-entropy alloys
610   $ageneralized stacking fault energy
610   $afirst-principles
610   $ainterfacial energy
610   $asurface energy
610   $ananoparticles
610   $agold
610   $aab initio
610   $amolecular mechanics
610   $afcc Ni
610   $atilt ?5(210) grain boundary
610   $avacancy
610   $aSi and Al impurity
610   $agrain boundary energy
610   $asegregation energy
610   $adefects binding energies
610   $amagnetism
610   $aferroelectricity
610   $aSnTe
610   $ananoribbon
610   $ananoflakes
610   $acritical size
610   $adensity-functional theory
610   $athermodynamics
610   $asilver
610   $adecahedron
610   $aexcess energy
610   $aab initio calculations
610   $adye-sensitized solar cells
610   $aazobenzene
610   $adensity functional theory
610   $atopological insulators
610   $amagnetic doping
610   $adefects
610   $aenvironment and health
610   $afirst-principles physics
610   $aDFT
610   $ahazardous gas
615  7$aResearch & information: general
700   $aS?ob$b Mojmi?r$4edt$01295542
702   $aS?ob$b Mojmi?r$4oth
906   $aBOOK
912   $a9910557583503321
996   $aComputational Quantum Physics and Chemistry of Nanomaterials$93023600
997   $aUNINA