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

Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review

6 Citaten (Scopus)

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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.

Originele taal-2	Engels
Pagina's (van-tot)	11079-11091
Aantal pagina's	13
Tijdschrift	Journal of Chemical Physics
Volume	118
Nummer van het tijdschrift	24
DOI's	https://doi.org/10.1063/1.1574775
Status	Gepubliceerd - 22 jun. 2003
Extern gepubliceerd	Ja

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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

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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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U2 - 10.1063/1.1574775

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M3 - Article

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JF - Journal of Chemical Physics

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

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