Raman spectra of hydrocarbons under extreme conditions of pressure and temperature: a first-principles study

Journal of Physics D Applied Physics ◽

10.1088/1361-6463/ac2d65 ◽

2021 ◽

Author(s):

Rui Hou ◽

Ding Pan

Keyword(s):

Raman Spectra ◽

First Principles ◽

Extreme Conditions ◽

First Principles Study

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Temperature dependence of Raman spectra and first principles study of NiMn2O4 magnetic spinel oxide thin films. Application in efficient photocatalytic removal of RhB and MB dyes

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2019.03.022 ◽

2019 ◽

Vol 216 ◽

pp. 117-124 ◽

Author(s):

T. Larbi ◽

K. Doll ◽

M. Amlouk

Keyword(s):

Temperature Dependence ◽

Raman Spectra ◽

First Principles ◽

Spinel Oxide ◽

Oxide Thin Films ◽

First Principles Study ◽

Photocatalytic Removal

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First-principles study of vibrational modes and Raman spectra in P-doped Si nanocrystals

Physical Review B ◽

10.1103/physrevb.89.195309 ◽

2014 ◽

Vol 89 (19) ◽

Author(s):

K. H. Khoo ◽

James R. Chelikowsky

Keyword(s):

Raman Spectra ◽

First Principles ◽

Vibrational Modes ◽

First Principles Study ◽

Si Nanocrystals

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FIRST-PRINCIPLES STUDY OF INFRARED AND RAMAN SPECTRA OF INTERMEDIATES IN ETHANOL CONVERSION TO ETHYL ACETATE AND HYDROGEN

Proceedings of the 74th International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2019.mk07 ◽

2019 ◽

Author(s):

Ruitao Wu ◽

Lichang Wang

Keyword(s):

Ethyl Acetate ◽

Raman Spectra ◽

First Principles ◽

Ethanol Conversion ◽

Infrared And Raman Spectra ◽

First Principles Study

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First-principles study of the effect of pressure on the five zirconia polymorphs. II. Static dielectric properties and Raman spectra

Physical Review B ◽

10.1103/physrevb.82.064106 ◽

2010 ◽

Vol 82 (6) ◽

Author(s):

Giuseppe Fadda ◽

Giovanni Zanzotto ◽

Luciano Colombo

Keyword(s):

Dielectric Properties ◽

Raman Spectra ◽

First Principles ◽

Effect Of Pressure ◽

First Principles Study

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First-Principles Study of Confinement Effects on the Raman Spectra of Si Nanocrystals

Physical Review Letters ◽

10.1103/physrevlett.105.115504 ◽

2010 ◽

Vol 105 (11) ◽

Author(s):

K. H. Khoo ◽

A. T. Zayak ◽

H. Kwak ◽

James R. Chelikowsky

Keyword(s):

Raman Spectra ◽

First Principles ◽

Confinement Effects ◽

First Principles Study ◽

Si Nanocrystals

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First principles study of three-dimensional polymers ofC60: Structure, electronic properties, and Raman spectra

Physical Review B ◽

10.1103/physrevb.77.115432 ◽

2008 ◽

Vol 77 (11) ◽

Author(s):

F. Zipoli ◽

M. Bernasconi

Keyword(s):

Electronic Properties ◽

Raman Spectra ◽

First Principles ◽

Three Dimensional ◽

First Principles Study

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First-principles study of phonons, optical properties, and Raman spectra inMgV2O5

Physical Review B ◽

10.1103/physrevb.78.064304 ◽

2008 ◽

Vol 78 (6) ◽

Author(s):

Jürgen Spitaler ◽

Eugene Ya. Sherman ◽

Claudia Ambrosch-Draxl

Keyword(s):

Optical Properties ◽

Raman Spectra ◽

First Principles ◽

First Principles Study

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Raman spectra and optical properties of the chalcogen-hyperdoped silicon: a first-principles study

Optics Express ◽

10.1364/oe.26.00a796 ◽

2018 ◽

Vol 26 (18) ◽

pp. A796 ◽

Author(s):

Xiao Dong ◽

Xiuxiu Fang ◽

Yongyong Wang ◽

Xiaohui Song

Keyword(s):

Optical Properties ◽

Raman Spectra ◽

First Principles ◽

First Principles Study ◽

Hyperdoped Silicon

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

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