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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F14%3A10227323%21RIV15-MSM-11310___
rdf:type
skos:Concept n16:Vysledek
dcterms: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.
dcterms:title
From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation
skos:prefLabel
From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation From Double-Four-Ring Germanosilicates to New Zeolites: In Silico Investigation
skos:notation
RIV/00216208:11310/14:10227323!RIV15-MSM-11310___
n6:aktivita
n12:I n12:P
n6:aktivity
I, P(GBP106/12/G015)
n6:cisloPeriodika
14
n6:dodaniDat
n14:2015
n6:domaciTvurceVysledku
n18:1747681
n6:druhVysledku
n9:J
n6:duvernostUdaju
n15:S
n6:entitaPredkladatele
n7:predkladatel
n6:idSjednocenehoVysledku
17550
n6:idVysledku
RIV/00216208:11310/14:10227323
n6:jazykVysledku
n10:eng
n6:klicovaSlova
synthesis * zeolites; structure; in silico studies; density functional calculations
n6:klicoveSlovo
n8:in%20silico%20studies n8:synthesis%20%2A%20zeolites n8:density%20functional%20calculations n8:structure
n6:kodStatuVydavatele
DE - Spolková republika Německo
n6:kontrolniKodProRIV
[F8B0BE63E045]
n6:nazevZdroje
Chemphyschem : a European journal of chemical physics and physical chemistry
n6:obor
n17:CF
n6:pocetDomacichTvurcuVysledku
1
n6:pocetTvurcuVysledku
5
n6:projekt
n19:GBP106%2F12%2FG015
n6:rokUplatneniVysledku
n14:2014
n6:svazekPeriodika
15
n6:tvurceVysledku
Bludský, Ota Trachta, Michal Nachtigall, Petr Čejka, Jiří Morris, Russell E.
n6:wos
000342770500012
s:issn
1439-4235
s:numberOfPages
5
n13:doi
10.1002/cphc.201402358
n4:organizacniJednotka
11310