Raman Spectra of Polycrystalline CeO2: A Density Functional Theory Study

Christian Schilling; Alexander Hofmann; Christian Hess; M. Verónica Ganduglia-Pirovano

doi:10.1021/acs.jpcc.7b06643

Raman Spectra of Polycrystalline CeO2: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b06643 ◽

2017 ◽

Vol 121 (38) ◽

pp. 20834-20849 ◽

Cited By ~ 94

Author(s):

Christian Schilling ◽

Alexander Hofmann ◽

Christian Hess ◽

M. Verónica Ganduglia-Pirovano

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on Raman Spectra of Rhodamine Molecules in Different Forms

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/27/03/291-296 ◽

2014 ◽

Vol 27 (3) ◽

pp. 291-296 ◽

Cited By ~ 1

Author(s):

Yong Ma ◽

Wei Hu ◽

Xiu-neng Song ◽

Chuan-kui Wang

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.11.028 ◽

2008 ◽

Vol 71 (2) ◽

pp. 465-470 ◽

Cited By ~ 42

Author(s):

V. Krishnakumar ◽

S. Dheivamalar

Keyword(s):

Density Functional Theory ◽

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

Fourier Transform Infrared ◽

Infrared And Raman Spectra ◽

Density Functional Theory Study ◽

Functional Theory

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SiGe superlattice nanocrystal infrared and Raman spectra: A density functional theory study

Journal of Applied Physics ◽

10.1063/1.3686610 ◽

2012 ◽

Vol 111 (4) ◽

pp. 044306 ◽

Cited By ~ 8

Author(s):

Mudar A. Abdulsattar

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Infrared And Raman Spectra ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.01.001 ◽

2005 ◽

Vol 62 (1-3) ◽

pp. 343-352 ◽

Cited By ~ 5

Author(s):

Haidar Raissi ◽

AliReza Nowroozi ◽

Farzaneh Farzad ◽

Mohammad Saeid Hosseini Bojd

Keyword(s):

Density Functional Theory ◽

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

Fourier Transform Infrared ◽

Infrared And Raman Spectra ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Fourier Transform

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Origin of the blue‐shifted hydrogen bond in the vibrational Raman spectra of pyridine–water complexes: A density functional theory study

Journal of Raman Spectroscopy ◽

10.1002/jrs.6205 ◽

2021 ◽

Author(s):

Vinay Sharma ◽

Sebastian Schlücker ◽

Sunil K. Srivastava

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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IR and Raman spectra of nitroanthracene isomers: Substitional effects based on density functional theory study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.12.052 ◽

2012 ◽

Vol 89 ◽

pp. 129-136 ◽

Cited By ~ 8

Author(s):

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Vito Librando

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Ir And Raman Spectra ◽

Density Functional Theory Study ◽

Functional Theory ◽

Ir And Raman

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Density functional theory study of ferromagnetically and ferrimagnetically ordered spinel oxide Mn3O4. A quantum mechanical simulation of their IR and Raman spectra

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10.1016/j.jallcom.2016.07.041 ◽

2016 ◽

Vol 688 ◽

pp. 692-698 ◽

Cited By ~ 15

Author(s):

T. Larbi ◽

K. Doll ◽

T. Manoubi

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Ir And Raman Spectra ◽

Quantum Mechanical ◽

Density Functional Theory Study ◽

Spinel Oxide ◽

Functional Theory ◽

Mechanical Simulation ◽

Ir And Raman

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A simulation on Raman spectra of SF6 decomposition characteristic gas: a density functional theory study

2020 IEEE 3rd International Conference of Safe Production and Informatization (IICSPI) ◽

10.1109/iicspi51290.2020.9332356 ◽

2020 ◽

Author(s):

Qiang Yao ◽

Long Li ◽

Yulong Miao ◽

Shiling Zhang ◽

Yongtao Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Sf6 Decomposition

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Density functional theory study of the Fourier transform infrared and Raman spectra of dichloro-bis(2,4-pentanedionate)tin(IV)

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10.1016/s1386-1425(00)00457-1 ◽

2001 ◽

Vol 57 (6) ◽

pp. 1149-1161 ◽

Cited By ~ 10

Author(s):

Claudio A. Téllez S ◽

Eduardo Hollauer ◽

M.I. Pais da Silva ◽

M.A. Mondragón ◽

I. Haiduc ◽

...

Keyword(s):

Density Functional Theory ◽

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

Fourier Transform Infrared ◽

Infrared And Raman Spectra ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Fourier Transform

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Resonance Raman Spectra and Electronic Transitions in Carotenoids: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp406449c ◽

2014 ◽

Vol 118 (10) ◽

pp. 1817-1825 ◽

Cited By ~ 39

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Juozas Sulskus ◽

Svetlana Malickaja ◽

Bruno Robert ◽

Leonas Valkunas

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Resonance Raman ◽

Electronic Transitions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Resonance Raman Spectra

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