Hybrid organic-inorganic CH3 NH3 PbI3 perovskite building blocks Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design

Hybrid organic-inorganic CH3 NH3 PbI3 perovskite building blocks : Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 38(2017), 32 vom: 15. Dez., Seite 2802-2818
1. Verfasser: Varadwaj, Arpita (VerfasserIn)
Weitere Verfasser: Varadwaj, Pradeep R, Yamashita, Koichi
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2017
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't CH3NH3PbI3 perovskite building blocks Ultra-strong hydrogen bonding first-principles study hydrogen bond classification natural bond orbital and reduced density gradient noncovalent interaction analysis quantum theory of atoms in molecules
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