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Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders. / Sizova, Olga V.; Skripnikov, Leonid V.; Sokolov, Alexander Yu; Sizov, Vladimir V.

In: International Journal of Quantum Chemistry, Vol. 109, No. 11, 2009, p. 2581-2590.

Research output: Contribution to journal › Article › peer-review

Harvard

Sizova, OV, Skripnikov, LV, Sokolov, AY & Sizov, VV 2009, 'Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders', International Journal of Quantum Chemistry, vol. 109, no. 11, pp. 2581-2590. https://doi.org/10.1002/qua.21978

APA

Sizova, O. V., Skripnikov, L. V., Sokolov, A. Y., & Sizov, V. V. (2009). Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders. International Journal of Quantum Chemistry, 109(11), 2581-2590. https://doi.org/10.1002/qua.21978

Vancouver

Sizova OV, Skripnikov LV, Sokolov AY, Sizov VV. Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders. International Journal of Quantum Chemistry. 2009;109(11):2581-2590. https://doi.org/10.1002/qua.21978

Author

Sizova, Olga V. ; Skripnikov, Leonid V. ; Sokolov, Alexander Yu ; Sizov, Vladimir V. / Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders. In: International Journal of Quantum Chemistry. 2009 ; Vol. 109, No. 11. pp. 2581-2590.

BibTeX

@article{22bc3c49ba95461cac620a7cb44bd9f5,
title = "Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders",
abstract = "The atomic-orbital-symmetry based (AOSB) scheme for the decomposition of Mayer and Wiberg bond orders into σ-, π-, and δ-components is used to investigate different types of covalent bonds. Four series of compounds are studied: simple molecules with homonuclear bonds, inorganic molecules with polar heteronuclear bonds, [Ru(CN)5(XY)]q transition metal complexes with π-acceptor ligands, and dimetal complexes with multiple metal-metal bonds.",
keywords = "σ-, π-, and δ-bonds, ab initio, bond orders, DFT",
author = "Sizova, {Olga V.} and Skripnikov, {Leonid V.} and Sokolov, {Alexander Yu} and Sizov, {Vladimir V.}",
year = "2009",
doi = "10.1002/qua.21978",
language = "English",
volume = "109",
pages = "2581--2590",
journal = "International Journal of Quantum Chemistry",
issn = "0020-7608",
publisher = "Wiley-Blackwell",
number = "11",

}

RIS

TY - JOUR

T1 - Atomic-orbital-symmetry based σ-, π-, and δ-decomposition analysis of bond orders

AU - Sizova, Olga V.

AU - Skripnikov, Leonid V.

AU - Sokolov, Alexander Yu

AU - Sizov, Vladimir V.

PY - 2009

Y1 - 2009

N2 - The atomic-orbital-symmetry based (AOSB) scheme for the decomposition of Mayer and Wiberg bond orders into σ-, π-, and δ-components is used to investigate different types of covalent bonds. Four series of compounds are studied: simple molecules with homonuclear bonds, inorganic molecules with polar heteronuclear bonds, [Ru(CN)5(XY)]q transition metal complexes with π-acceptor ligands, and dimetal complexes with multiple metal-metal bonds.

AB - The atomic-orbital-symmetry based (AOSB) scheme for the decomposition of Mayer and Wiberg bond orders into σ-, π-, and δ-components is used to investigate different types of covalent bonds. Four series of compounds are studied: simple molecules with homonuclear bonds, inorganic molecules with polar heteronuclear bonds, [Ru(CN)5(XY)]q transition metal complexes with π-acceptor ligands, and dimetal complexes with multiple metal-metal bonds.

KW - σ-, π-, and δ-bonds

KW - ab initio

KW - bond orders

KW - DFT

UR - http://www.scopus.com/inward/record.url?scp=67649770452&partnerID=8YFLogxK

U2 - 10.1002/qua.21978

DO - 10.1002/qua.21978

M3 - Article

AN - SCOPUS:67649770452

VL - 109

SP - 2581

EP - 2590

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 11

ER -

ID: 11892868