Endohedral complexes of fullerene-like silica molecules with H2O, CH4, and CH3NH2 molecules View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2013-06-16

AUTHORS

O. V. Filonenko, V. V. Lobanov

ABSTRACT

The possibility of formation of (SiO2)60@H2O, (SiO2)60@CH4, and (SiO2)60@CH3NH2 endohedral complexes was studied by the density functional (DFT) method (B3LYP exchange correlation functional, 6-31G** basis). The penetration of these molecules into the cavity of fullerene-like silica molecules is hindered by high activation barriers, which ensures the stability of the complexes formed during the synthesis of these molecules. More... »

PAGES

1191-1193

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s003602441307011x

DOI

http://dx.doi.org/10.1134/s003602441307011x

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1013748451


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Chemical Sciences", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0302", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Inorganic Chemistry", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Kyiv, Ukraine", 
          "id": "http://www.grid.ac/institutes/grid.464622.0", 
          "name": [
            "Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Kyiv, Ukraine"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Filonenko", 
        "givenName": "O. V.", 
        "id": "sg:person.010256403503.26", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010256403503.26"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Kyiv, Ukraine", 
          "id": "http://www.grid.ac/institutes/grid.464622.0", 
          "name": [
            "Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Kyiv, Ukraine"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Lobanov", 
        "givenName": "V. V.", 
        "id": "sg:person.016020327543.29", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016020327543.29"
        ], 
        "type": "Person"
      }
    ], 
    "datePublished": "2013-06-16", 
    "datePublishedReg": "2013-06-16", 
    "description": "The possibility of formation of (SiO2)60@H2O, (SiO2)60@CH4, and (SiO2)60@CH3NH2 endohedral complexes was studied by the density functional (DFT) method (B3LYP exchange correlation functional, 6-31G** basis). The penetration of these molecules into the cavity of fullerene-like silica molecules is hindered by high activation barriers, which ensures the stability of the complexes formed during the synthesis of these molecules.", 
    "genre": "article", 
    "id": "sg:pub.10.1134/s003602441307011x", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1327871", 
        "issn": [
          "0036-0244", 
          "1531-863X"
        ], 
        "name": "Russian Journal of Physical Chemistry A", 
        "publisher": "Pleiades Publishing", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "7", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "87"
      }
    ], 
    "keywords": [
      "silica molecules", 
      "endohedral complexes", 
      "high activation barrier", 
      "density functional method", 
      "activation barrier", 
      "possibility of formation", 
      "molecules", 
      "functional method", 
      "complexes", 
      "synthesis", 
      "H2O", 
      "CH4", 
      "stability", 
      "formation", 
      "barriers", 
      "method", 
      "penetration", 
      "cavity", 
      "possibility"
    ], 
    "name": "Endohedral complexes of fullerene-like silica molecules with H2O, CH4, and CH3NH2 molecules", 
    "pagination": "1191-1193", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1013748451"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s003602441307011x"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s003602441307011x", 
      "https://app.dimensions.ai/details/publication/pub.1013748451"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-08-04T17:02", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220804/entities/gbq_results/article/article_613.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1134/s003602441307011x"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1134/s003602441307011x'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1134/s003602441307011x'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s003602441307011x'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s003602441307011x'


 

This table displays all metadata directly associated to this object as RDF triples.

83 TRIPLES      20 PREDICATES      43 URIs      35 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s003602441307011x schema:about anzsrc-for:03
2 anzsrc-for:0302
3 schema:author Neacc16c234f8410595ba93022519486b
4 schema:datePublished 2013-06-16
5 schema:datePublishedReg 2013-06-16
6 schema:description The possibility of formation of (SiO2)60@H2O, (SiO2)60@CH4, and (SiO2)60@CH3NH2 endohedral complexes was studied by the density functional (DFT) method (B3LYP exchange correlation functional, 6-31G** basis). The penetration of these molecules into the cavity of fullerene-like silica molecules is hindered by high activation barriers, which ensures the stability of the complexes formed during the synthesis of these molecules.
7 schema:genre article
8 schema:isAccessibleForFree false
9 schema:isPartOf N874ae1c806244f24862a85efc589f686
10 Nfa9e688654cd47f4927080664b634f98
11 sg:journal.1327871
12 schema:keywords CH4
13 H2O
14 activation barrier
15 barriers
16 cavity
17 complexes
18 density functional method
19 endohedral complexes
20 formation
21 functional method
22 high activation barrier
23 method
24 molecules
25 penetration
26 possibility
27 possibility of formation
28 silica molecules
29 stability
30 synthesis
31 schema:name Endohedral complexes of fullerene-like silica molecules with H2O, CH4, and CH3NH2 molecules
32 schema:pagination 1191-1193
33 schema:productId N2cfddffbf41a46f383111611152e8d69
34 Nd7ee30ff0e654b25b45d5bea0f22a0a9
35 schema:sameAs https://app.dimensions.ai/details/publication/pub.1013748451
36 https://doi.org/10.1134/s003602441307011x
37 schema:sdDatePublished 2022-08-04T17:02
38 schema:sdLicense https://scigraph.springernature.com/explorer/license/
39 schema:sdPublisher N740747bed67a4ef3a2aee2aa1c7390ae
40 schema:url https://doi.org/10.1134/s003602441307011x
41 sgo:license sg:explorer/license/
42 sgo:sdDataset articles
43 rdf:type schema:ScholarlyArticle
44 N2cfddffbf41a46f383111611152e8d69 schema:name doi
45 schema:value 10.1134/s003602441307011x
46 rdf:type schema:PropertyValue
47 N740747bed67a4ef3a2aee2aa1c7390ae schema:name Springer Nature - SN SciGraph project
48 rdf:type schema:Organization
49 N874ae1c806244f24862a85efc589f686 schema:volumeNumber 87
50 rdf:type schema:PublicationVolume
51 Nd7ee30ff0e654b25b45d5bea0f22a0a9 schema:name dimensions_id
52 schema:value pub.1013748451
53 rdf:type schema:PropertyValue
54 Neacc16c234f8410595ba93022519486b rdf:first sg:person.010256403503.26
55 rdf:rest Nf07230efd9f74e8d8330049157c8b873
56 Nf07230efd9f74e8d8330049157c8b873 rdf:first sg:person.016020327543.29
57 rdf:rest rdf:nil
58 Nfa9e688654cd47f4927080664b634f98 schema:issueNumber 7
59 rdf:type schema:PublicationIssue
60 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
61 schema:name Chemical Sciences
62 rdf:type schema:DefinedTerm
63 anzsrc-for:0302 schema:inDefinedTermSet anzsrc-for:
64 schema:name Inorganic Chemistry
65 rdf:type schema:DefinedTerm
66 sg:journal.1327871 schema:issn 0036-0244
67 1531-863X
68 schema:name Russian Journal of Physical Chemistry A
69 schema:publisher Pleiades Publishing
70 rdf:type schema:Periodical
71 sg:person.010256403503.26 schema:affiliation grid-institutes:grid.464622.0
72 schema:familyName Filonenko
73 schema:givenName O. V.
74 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010256403503.26
75 rdf:type schema:Person
76 sg:person.016020327543.29 schema:affiliation grid-institutes:grid.464622.0
77 schema:familyName Lobanov
78 schema:givenName V. V.
79 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016020327543.29
80 rdf:type schema:Person
81 grid-institutes:grid.464622.0 schema:alternateName Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Kyiv, Ukraine
82 schema:name Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Kyiv, Ukraine
83 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...