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Pregled bibliografske jedinice broj: 237587

Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium


Margetić, Davor; Eckert-Maksić, Mirjana
Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium // New Journal of Chemistry, 30 (2006), 1149-1154 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 237587 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium

Autori
Margetić, Davor ; Eckert-Maksić, Mirjana

Izvornik
New Journal of Chemistry (1144-0546) 30 (2006); 1149-1154

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Diels-Alder reaction; dienes; cycloaddition; DFT calculations

Sažetak
Results of DFT (B3LYP/LAN2DZ) quantum-chemical study of reactivity of penta- and hexacyclic metalloles (Si, Ge and Sn) in Diels-Alder cycloaddition reactions are described. It was found that computational method employed correctly predicted experimentally observed stereochemical outcome of the related reactions, which are governed by steric interactions in the transition states.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekti:
0098147
0098056

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Davor Margetić (autor)

Avatar Url Mirjana Maksić (autor)


Citiraj ovu publikaciju:

Margetić, Davor; Eckert-Maksić, Mirjana
Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium // New Journal of Chemistry, 30 (2006), 1149-1154 (međunarodna recenzija, članak, znanstveni)
Margetić, D. & Eckert-Maksić, M. (2006) Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium. New Journal of Chemistry, 30, 1149-1154.
@article{article, year = {2006}, pages = {1149-1154}, keywords = {Diels-Alder reaction, dienes, cycloaddition, DFT calculations}, journal = {New Journal of Chemistry}, volume = {30}, issn = {1144-0546}, title = {Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium}, keyword = {Diels-Alder reaction, dienes, cycloaddition, DFT calculations} }
@article{article, year = {2006}, pages = {1149-1154}, keywords = {Diels-Alder reaction, dienes, cycloaddition, DFT calculations}, journal = {New Journal of Chemistry}, volume = {30}, issn = {1144-0546}, title = {Computational study on reactivity of cyclic organometallic dienes containing silicon and germanium}, keyword = {Diels-Alder reaction, dienes, cycloaddition, DFT calculations} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus





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