About: From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	To date, the majority of zeolites have been prepared by the solvothermal route using organic structure directing agents. Two new zeolites with structural codes PCR and OKO were recently prepared from UTL germanosilicate by removal of the double-four ring (D4R) connecting the dense two-dimensional layers [Nature Chem. 2013, 5, 628]. The corresponding experimental protocol, Assembly-Disassembly-Organization-Reassembly (ADOR), is explored in this contribution with an in silico investigation. The structure and properties of hypothetical zeolites that could be obtained from zeolites with IWW, IWV, IWR, ITR, and ITH topologies using the ADOR protocol are reported based on a computational investigation. A total of 20 new structures are presented together with their characteristics. To date, the majority of zeolites have been prepared by the solvothermal route using organic structure directing agents. Two new zeolites with structural codes PCR and OKO were recently prepared from UTL germanosilicate by removal of the double-four ring (D4R) connecting the dense two-dimensional layers [Nature Chem. 2013, 5, 628]. The corresponding experimental protocol, Assembly-Disassembly-Organization-Reassembly (ADOR), is explored in this contribution with an in silico investigation. The structure and properties of hypothetical zeolites that could be obtained from zeolites with IWW, IWV, IWR, ITR, and ITH topologies using the ADOR protocol are reported based on a computational investigation. A total of 20 new structures are presented together with their characteristics. (en)
Title	From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation (en)
skos:prefLabel	From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation (en)
skos:notation	RIV/00216208:11310/14:10227323!RIV15-MSM-11310___
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GBP106/12/G015)
http://linked.open...iv/cisloPeriodika	14
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Nachtigall, Petr
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	17550
http://linked.open...ai/riv/idVysledku	RIV/00216208:11310/14:10227323
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	synthesis * zeolites; structure; in silico studies; density functional calculations (en)
http://linked.open.../riv/klicoveSlovo	in silico studies synthesis * zeolites structure density functional calculations
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[F8B0BE63E045]
http://linked.open...i/riv/nazevZdroje	Chemphyschem : a European journal of chemical physics and physical chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Intelligent design of nanoporous adsorbents and catalysts
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	15
http://linked.open...iv/tvurceVysledku	Bludský, Ota Nachtigall, Petr Čejka, Jiří Morris, Russell E. Trachta, Michal
http://linked.open...ain/vavai/riv/wos	000342770500012
issn	1439-4235
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1002/cphc.201402358
http://localhost/t...ganizacniJednotka	11310

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