The charge capacity of the chemical bond

Asbjörn Holt; Gunnar Karlström; Roland Lindh

doi:10.1016/j.cplett.2007.01.051

The charge capacity of the chemical bond

Asbjörn Holt, Gunnar Karlström, Roland Lindh

Computational Chemistry

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

Abstract

A bond capacitance is introduced via the LoProp formalism, and the calculated bond capacitances reflects the properties of the corresponding chemical bond remarkably well. It is clearly possible to characterize the properties of the chemical bond with the help of the calculated bond capacitances.

Original language	English
Pages (from-to)	297-301
Journal	Chemical Physics Letters
Volume	436
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2007.01.051
Publication status	Published - 2007

Bibliographical note

The information about affiliations in this record was updated in December 2015.
The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)

Subject classification (UKÄ)

Theoretical Chemistry

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10.1016/j.cplett.2007.01.051

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title = "The charge capacity of the chemical bond",

abstract = "A bond capacitance is introduced via the LoProp formalism, and the calculated bond capacitances reflects the properties of the corresponding chemical bond remarkably well. It is clearly possible to characterize the properties of the chemical bond with the help of the calculated bond capacitances.",

author = "Asbj{\"o}rn Holt and Gunnar Karlstr{\"o}m and Roland Lindh",

note = "The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)",

year = "2007",

doi = "10.1016/j.cplett.2007.01.051",

language = "English",

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journal = "Chemical Physics Letters",

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AU - Holt, Asbjörn

AU - Karlström, Gunnar

AU - Lindh, Roland

N1 - The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)

PY - 2007

Y1 - 2007

N2 - A bond capacitance is introduced via the LoProp formalism, and the calculated bond capacitances reflects the properties of the corresponding chemical bond remarkably well. It is clearly possible to characterize the properties of the chemical bond with the help of the calculated bond capacitances.

AB - A bond capacitance is introduced via the LoProp formalism, and the calculated bond capacitances reflects the properties of the corresponding chemical bond remarkably well. It is clearly possible to characterize the properties of the chemical bond with the help of the calculated bond capacitances.

U2 - 10.1016/j.cplett.2007.01.051

DO - 10.1016/j.cplett.2007.01.051

M3 - Article

SN - 0009-2614

VL - 436

SP - 297

EP - 301

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

The charge capacity of the chemical bond

Abstract

Bibliographical note

Subject classification (UKÄ)

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Cite this