Influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules

Sofía Calero; Benito Garzón; Santiago Lago

doi:10.1063/1.1574775

Influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules

Sofía Calero, Benito Garzón, Santiago Lago

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

6 Citations (Scopus)

Abstract

The influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules was studied. Two models differing in the electrostatic part of the intermolecular potential were considered. The magnitude of the charges and the distance between them were chosen to reproduce the dipole moment of the ideal dipole (IP) model.

Original language	English
Pages (from-to)	11079-11091
Number of pages	13
Journal	Journal of Chemical Physics
Volume	118
Issue number	24
DOIs	https://doi.org/10.1063/1.1574775
Publication status	Published - 22 Jun 2003
Externally published	Yes

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title = "Influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules",

abstract = "The influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules was studied. Two models differing in the electrostatic part of the intermolecular potential were considered. The magnitude of the charges and the distance between them were chosen to reproduce the dipole moment of the ideal dipole (IP) model.",

author = "Sof{\'i}a Calero and Benito Garz{\'o}n and Santiago Lago",

year = "2003",

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T1 - Influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules

AU - Calero, Sofía

AU - Garzón, Benito

AU - Lago, Santiago

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Y1 - 2003/6/22

N2 - The influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules was studied. Two models differing in the electrostatic part of the intermolecular potential were considered. The magnitude of the charges and the distance between them were chosen to reproduce the dipole moment of the ideal dipole (IP) model.

AB - The influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules was studied. Two models differing in the electrostatic part of the intermolecular potential were considered. The magnitude of the charges and the distance between them were chosen to reproduce the dipole moment of the ideal dipole (IP) model.

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DO - 10.1063/1.1574775

M3 - Article

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SP - 11079

EP - 11091

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 24

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Influence of charge distribution on the thermophysical and dynamical properties of polar linear molecules

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