Pretražite po imenu i prezimenu autora, mentora, urednika, prevoditelja

Napredna pretraga

Pregled bibliografske jedinice broj: 319931

The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433]


Barić, Danijela; Maksić, Zvonimir
The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433] // Tetrahedron letters, 49 (2008), 8; 1428-1431 doi:10.1016/j.tetlet.2007.12.036 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 319931 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433]

Autori
Barić, Danijela ; Maksić, Zvonimir

Izvornik
Tetrahedron letters (0040-4039) 49 (2008), 8; 1428-1431

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

Ključne riječi
Baeyer strain

Sažetak
The origin of the angular strain is studied in deformed methane and cyclohexane selected as the model systems par excellence. It is shown that the electron correlation contribution to the angular strain is negligible. Analysis of the Hartree-Fock energies provides a convincing evidence that the angular strain is a consequence of the unfavourable nucleus-electron attraction occuring due to bond bending. This should take place in other angularly distorted molecules as a rule. However, other effects might be even more important sometimes. In these cases the V_ne term can serve as a useful diagnostic tool.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982933-2932 - Broenstedove i Lewisove kiseline i baze u kemiji i biokemiji (Robert Vianello, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Zvonimir Maksić (autor)

Avatar Url Danijela Barić (autor)

Citiraj ovu publikaciju

Barić, Danijela; Maksić, Zvonimir
The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433] // Tetrahedron letters, 49 (2008), 8; 1428-1431 doi:10.1016/j.tetlet.2007.12.036 (međunarodna recenzija, članak, znanstveni)
Barić, D. & Maksić, Z. (2008) The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433]. Tetrahedron letters, 49 (8), 1428-1431 doi:10.1016/j.tetlet.2007.12.036.
@article{article, year = {2008}, pages = {1428-1431}, DOI = {10.1016/j.tetlet.2007.12.036}, keywords = {Baeyer strain}, journal = {Tetrahedron letters}, doi = {10.1016/j.tetlet.2007.12.036}, volume = {49}, number = {8}, issn = {0040-4039}, title = {The Baeyer strain is strongly affected by the nucleus-electron attraction - a comment on the Letter of G. Hohlneicher and L. Packschies [Tetrahedron Lett. 2007, 48, 6429-6433]}, keyword = {Baeyer strain} }

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


Citati