Computational Quantum Physics and Chemistry of Nanomaterials

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...

Full description

Saved in:
Bibliographic Details
Sonstige:
Year of Publication:2021
Language:English
Physical Description:1 electronic resource (198 p.)
Tags: Add Tag
No Tags, Be the first to tag this record!
LEADER 03142nam-a2200949z--4500
001 993546092604498
005 20231214133510.0
006 m o d
007 cr|mn|---annan
008 202105s2021 xx |||||o ||| 0|eng d
035 |a (CKB)5400000000043813 
035 |a (oapen)https://directory.doabooks.org/handle/20.500.12854/68536 
035 |a (EXLCZ)995400000000043813 
041 0 |a eng 
100 1 |a Šob, Mojmír  |4 edt 
245 1 0 |a Computational Quantum Physics and Chemistry of Nanomaterials 
260 |a Basel, Switzerland  |b MDPI - Multidisciplinary Digital Publishing Institute  |c 2021 
300 |a 1 electronic resource (198 p.) 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
520 |a 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 field 
546 |a English 
650 7 |a Research & information: general  |2 bicssc 
653 |a BTF 
653 |a TATB 
653 |a CL-20 
653 |a cocrystal 
653 |a energetic materials 
653 |a shock sensitivity 
653 |a large-scale ab initio molecular dynamics simulations 
653 |a AlN 
653 |a low-dimensional material 
653 |a atomic cluster 
653 |a electronic structure 
653 |a HSE06 hybrid functional 
653 |a CsPbBr3 
653 |a CsPb2Br5 
653 |a solvent polarity 
653 |a CTAB 
653 |a phase transition 
653 |a high-entropy alloys 
653 |a generalized stacking fault energy 
653 |a first-principles 
653 |a interfacial energy 
653 |a surface energy 
653 |a nanoparticles 
653 |a gold 
653 |a ab initio 
653 |a molecular mechanics 
653 |a fcc Ni 
653 |a tilt Σ5(210) grain boundary 
653 |a vacancy 
653 |a Si and Al impurity 
653 |a grain boundary energy 
653 |a segregation energy 
653 |a defects binding energies 
653 |a magnetism 
653 |a ferroelectricity 
653 |a SnTe 
653 |a nanoribbon 
653 |a nanoflakes 
653 |a critical size 
653 |a density-functional theory 
653 |a thermodynamics 
653 |a silver 
653 |a decahedron 
653 |a excess energy 
653 |a ab initio calculations 
653 |a dye-sensitized solar cells 
653 |a azobenzene 
653 |a density functional theory 
653 |a topological insulators 
653 |a magnetic doping 
653 |a defects 
653 |a environment and health 
653 |a first-principles physics 
653 |a DFT 
653 |a hazardous gas 
776 |z 3-0365-0134-7 
776 |z 3-0365-0135-5 
700 1 |a Šob, Mojmír  |4 oth 
906 |a BOOK 
ADM |b 2023-12-15 05:56:00 Europe/Vienna  |f system  |c marc21  |a 2022-04-04 09:22:53 Europe/Vienna  |g false 
AVE |i DOAB Directory of Open Access Books  |P DOAB Directory of Open Access Books  |x https://eu02.alma.exlibrisgroup.com/view/uresolver/43ACC_OEAW/openurl?u.ignore_date_coverage=true&portfolio_pid=5338110340004498&Force_direct=true  |Z 5338110340004498  |b Available  |8 5338110340004498