Study of the stretching vibrational band intensities of XH4 molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces

Sheng Gui He; An Wen Liu; Hai Lin; Shui Ming Hu; Jing Jing Zheng; Lu Yuan Hao; Qing Shi Zhu

doi:10.1063/1.1520130

Study of the stretching vibrational band intensities of XH₄ molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces

Sheng Gui He, An Wen Liu, Hai Lin, Shui Ming Hu, Jing Jing Zheng, Lu Yuan Hao, Qing Shi Zhu

Chemistry (Twin Cities)

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

4 Scopus citations

Abstract

Ab initio and effective four-dimensional (4-D) stretching dipole moment surface (DMS) were applied to three group IV hydrides (CH₄, SiH₄, and SnH₄). As a result, it was possible to achieve another angle of view of the local mode feature about the vibrations in the XH₄ species, in addition to energy levels.

Original language	English (US)
Pages (from-to)	10073-10080
Number of pages	8
Journal	Journal of Chemical Physics
Volume	117
Issue number	22
DOIs	https://doi.org/10.1063/1.1520130
State	Published - Dec 8 2002

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Study of the stretching vibrational band intensities of XH₄ molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces. / He, Sheng Gui; Liu, An Wen; Lin, Hai; Hu, Shui Ming; Zheng, Jing Jing; Hao, Lu Yuan; Zhu, Qing Shi.

In: Journal of Chemical Physics, Vol. 117, No. 22, 08.12.2002, p. 10073-10080.

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

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abstract = "Ab initio and effective four-dimensional (4-D) stretching dipole moment surface (DMS) were applied to three group IV hydrides (CH4, SiH4, and SnH4). As a result, it was possible to achieve another angle of view of the local mode feature about the vibrations in the XH4 species, in addition to energy levels.",

author = "He, {Sheng Gui} and Liu, {An Wen} and Hai Lin and Hu, {Shui Ming} and Zheng, {Jing Jing} and Hao, {Lu Yuan} and Zhu, {Qing Shi}",

year = "2002",

month = dec,

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doi = "10.1063/1.1520130",

language = "English (US)",

volume = "117",

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AU - He, Sheng Gui

AU - Liu, An Wen

AU - Lin, Hai

AU - Hu, Shui Ming

AU - Zheng, Jing Jing

AU - Hao, Lu Yuan

AU - Zhu, Qing Shi

PY - 2002/12/8

Y1 - 2002/12/8

N2 - Ab initio and effective four-dimensional (4-D) stretching dipole moment surface (DMS) were applied to three group IV hydrides (CH4, SiH4, and SnH4). As a result, it was possible to achieve another angle of view of the local mode feature about the vibrations in the XH4 species, in addition to energy levels.

AB - Ab initio and effective four-dimensional (4-D) stretching dipole moment surface (DMS) were applied to three group IV hydrides (CH4, SiH4, and SnH4). As a result, it was possible to achieve another angle of view of the local mode feature about the vibrations in the XH4 species, in addition to energy levels.

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JF - Journal of Chemical Physics

SN - 0021-9606

IS - 22

ER -

Study of the stretching vibrational band intensities of XH4 molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces

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Study of the stretching vibrational band intensities of XH₄ molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces