Phonon dispersion and heat capacity in polyoxacyclobutane modification i

Subodh Kumar; Deepika Chaturvedi; Ashika Jain; Poonam Tandon; C. M. Nautiyal

doi:10.1016/j.vibspec.2011.01.001

Phonon dispersion and heat capacity in polyoxacyclobutane modification i

Subodh Kumar
, Deepika Chaturvedi
, Ashika Jain
, Poonam Tandon
, C. M. Nautiyal

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

1 Scopus citations

Abstract

Normal modes of vibration and their dispersion for polyoxacyclobutane modification I (POCB I) have been obtained by using Urey-Bradley force field and the Wilson's GF matrix method as modified by Higgs. Characteristic features of the dispersion curves such as crossing, repulsion and regions of high density-of-states have been explained. Heat capacity measurements have been interpreted and the limitations of the present work discussed.

Original language	English
Pages (from-to)	116-122
Number of pages	7
Journal	Vibrational Spectroscopy
Volume	56
Issue number	2
DOIs	https://doi.org/10.1016/j.vibspec.2011.01.001
State	Published - 18 Jul 2011
Externally published	Yes

Keywords

Density-of-states
Dispersion curves
Heat capacity
Polymer hydrate
Polyoxacyclobutane modification I

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10.1016/j.vibspec.2011.01.001

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abstract = "Normal modes of vibration and their dispersion for polyoxacyclobutane modification I (POCB I) have been obtained by using Urey-Bradley force field and the Wilson's GF matrix method as modified by Higgs. Characteristic features of the dispersion curves such as crossing, repulsion and regions of high density-of-states have been explained. Heat capacity measurements have been interpreted and the limitations of the present work discussed.",

keywords = "Density-of-states, Dispersion curves, Heat capacity, Polymer hydrate, Polyoxacyclobutane modification I",

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AU - Kumar, Subodh

AU - Chaturvedi, Deepika

AU - Jain, Ashika

AU - Tandon, Poonam

AU - Nautiyal, C. M.

PY - 2011/7/18

Y1 - 2011/7/18

N2 - Normal modes of vibration and their dispersion for polyoxacyclobutane modification I (POCB I) have been obtained by using Urey-Bradley force field and the Wilson's GF matrix method as modified by Higgs. Characteristic features of the dispersion curves such as crossing, repulsion and regions of high density-of-states have been explained. Heat capacity measurements have been interpreted and the limitations of the present work discussed.

AB - Normal modes of vibration and their dispersion for polyoxacyclobutane modification I (POCB I) have been obtained by using Urey-Bradley force field and the Wilson's GF matrix method as modified by Higgs. Characteristic features of the dispersion curves such as crossing, repulsion and regions of high density-of-states have been explained. Heat capacity measurements have been interpreted and the limitations of the present work discussed.

KW - Density-of-states

KW - Dispersion curves

KW - Heat capacity

KW - Polymer hydrate

KW - Polyoxacyclobutane modification I

UR - https://www.scopus.com/pages/publications/79955899675

U2 - 10.1016/j.vibspec.2011.01.001

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JF - Vibrational Spectroscopy

IS - 2

ER -

Phonon dispersion and heat capacity in polyoxacyclobutane modification i

Abstract

Keywords

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