Chemical bonding in hypervalent molecules revised. Application of the Atoms in Molecules Theory to Y-3 X and Y-3 XZ (Y = H or CH3; X = N, P or As; Z = O or S) compounds

J A  Dobado; H  Martinez-Garcia; J M  Molina; M R  Sundberg

doi:10.1021/ja980141p

Chemical bonding in hypervalent molecules revised. Application of the Atoms in Molecules Theory to Y-3 X and Y-3 XZ (Y = H or CH3; X = N, P or As; Z = O or S) compounds

J A Dobado
, H Martinez-Garcia
, J M Molina
, M R Sundberg

Kemian osasto

Tutkimustuotos: Artikkelijulkaisu › Artikkeli › Tieteellinen › vertaisarvioitu

Alkuperäiskieli	englanti
Lehti	Journal of the American Chemical Society
Vuosikerta	120
Numero	33
Sivut	8461-8471
Sivumäärä	11
ISSN	0002-7863
DOI - pysyväislinkit	https://doi.org/10.1021/ja980141p
Tila	Julkaistu - 1998
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä, vertaisarvioitu

Tieteenalat

116 Kemia

Pääsy asiakirjaan

10.1021/ja980141p

Siteeraa tätä

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title = "Chemical bonding in hypervalent molecules revised. Application of the Atoms in Molecules Theory to Y-3 X and Y-3 XZ (Y = H or CH3; X = N, P or As; Z = O or S) compounds",

keywords = "AB-INITIO, ELECTRONIC-STRUCTURE, POPULATION ANALYSIS, PHOSPHINE OXIDES, D-ORBITALS, CONFORMATIONAL PROPERTIES, DEFORMATION DENSITIES, ABINITIO CALCULATIONS, OCCUPATION NUMBERS, CRYSTAL-STRUCTURE, 116 Chemical sciences",

author = "Dobado, \{J A\} and H Martinez-Garcia and Molina, \{J M\} and Sundberg, \{M R\}",

year = "1998",

doi = "10.1021/ja980141p",

language = "English",

volume = "120",

pages = "8461--8471",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

number = "33",

}

Chemical bonding in hypervalent molecules revised. Application of the Atoms in Molecules Theory to Y-3 X and Y-3 XZ (Y = H or CH3; X = N, P or As; Z = O or S) compounds. / Dobado, J A ; Martinez-Garcia, H ; Molina, J M et al.
julkaisussa: Journal of the American Chemical Society, Vuosikerta 120, Nro 33, 1998, s. 8461-8471.

Tutkimustuotos: Artikkelijulkaisu › Artikkeli › Tieteellinen › vertaisarvioitu

TY - JOUR

T1 - Chemical bonding in hypervalent molecules revised. Application of the Atoms in Molecules Theory to Y-3 X and Y-3 XZ (Y = H or CH3; X = N, P or As; Z = O or S) compounds

AU - Dobado, J A

AU - Martinez-Garcia, H

AU - Molina, J M

AU - Sundberg, M R

PY - 1998

Y1 - 1998

KW - AB-INITIO

KW - ELECTRONIC-STRUCTURE

KW - POPULATION ANALYSIS

KW - PHOSPHINE OXIDES

KW - D-ORBITALS

KW - CONFORMATIONAL PROPERTIES

KW - DEFORMATION DENSITIES

KW - ABINITIO CALCULATIONS

KW - OCCUPATION NUMBERS

KW - CRYSTAL-STRUCTURE

KW - 116 Chemical sciences

U2 - 10.1021/ja980141p

DO - 10.1021/ja980141p

M3 - Article

SN - 0002-7863

VL - 120

SP - 8461

EP - 8471

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 33

ER -