vibrational spectrum Latest Research Papers

The PED assignments are analysed for the title molecule. The Force Constants and Reduced masses are presented for reference. Vibrational assignments are made to the title molecule Beta Asarone. .The analysis of Vibrational Assignments is done with an intention to deduce the various properties of Beta Asarone that should aid in analysing the reported toxicity of Beta Asarone.

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Anharmonic Vibrational Spectrum and Experimental Matrix Isolation Study of Thioformic Acid Conformers—Potential Candidates for Molecular Cloud and Solar System Observations?

The Astrophysical Journal ◽

10.3847/1538-4357/ac06d0 ◽

2021 ◽

Vol 917 (2) ◽

pp. 68

Author(s):

Antti Lignell ◽

Irina Osadchuk ◽

Markku Räsänen ◽

Jan Lundell

Keyword(s):

Solar System ◽

Vibrational Spectrum ◽

Molecular Cloud ◽

Matrix Isolation

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The Polarizable Continuum Potential Model in the Liquid State Calculations. Density Functional Computational Analysis of the Anharmonic Vibrational Spectrum of Liquid Water

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116941 ◽

2021 ◽

pp. 116941

Author(s):

Giuseppe Buemi ◽

Rosario Sergio Cataliotti

Keyword(s):

Vibrational Spectrum ◽

Liquid Water ◽

Liquid State ◽

Density Functional ◽

Computational Analysis ◽

Potential Model ◽

Polarizable Continuum

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Low-frequency vibrational spectrum of mean-field disordered systems

Physical Review B ◽

10.1103/physrevb.103.174202 ◽

2021 ◽

Vol 103 (17) ◽

Author(s):

Eran Bouchbinder ◽

Edan Lerner ◽

Corrado Rainone ◽

Pierfrancesco Urbani ◽

Francesco Zamponi

Keyword(s):

Vibrational Spectrum ◽

Disordered Systems ◽

Mean Field ◽

Low Frequency

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Frequency filtering and vibrational spectrum of multiple-valley one-dimensional phononic crystals

The European Physical Journal Plus ◽

10.1140/epjp/s13360-021-01380-5 ◽

2021 ◽

Vol 136 (4) ◽

Author(s):

M. Solaimani

Keyword(s):

Vibrational Spectrum ◽

Phononic Crystals ◽

Frequency Filtering ◽

One Dimensional

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Using nondirect product Wigner D basis functions and the symmetry-adapted Lanczos algorithm to compute the ro-vibrational spectrum of CH4–H2O

The Journal of Chemical Physics ◽

10.1063/5.0044010 ◽

2021 ◽

Vol 154 (12) ◽

pp. 124112

Author(s):

Xiao-Gang Wang ◽

Tucker Carrington

Keyword(s):

Vibrational Spectrum ◽

Basis Functions ◽

Lanczos Algorithm

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Mid-Infrared Vibrational Spectrum Characterization of the Outer Surface of Candida albicans by Functionally Enhanced Derivative Spectroscopy

Journal of Applied Spectroscopy ◽

10.1007/s10812-021-01155-x ◽

2021 ◽

Author(s):

S. L. Palencia ◽

A. García ◽

M. Palencia

Keyword(s):

Candida Albicans ◽

Vibrational Spectrum ◽

Outer Surface ◽

Mid Infrared ◽

Derivative Spectroscopy

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New Dihydrogenhypodiphosphates of Alkaline‐Earth Metals:Preparation, Crystal Sructure, Vibrational Spectrum and Thermal Behavior of MH2P2O6 ∙ n H2O (M = Ca, Sr and n = 1.5, 2)

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/zaac.202100020 ◽

2021 ◽

Author(s):

Mimoza Gjikaj ◽

Madeline Haase

Keyword(s):

Vibrational Spectrum ◽

Thermal Behavior ◽

Alkaline Earth

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Vibrational Spectrum and Photochemistry of Phosphaketene HPCO

Physical Chemistry Chemical Physics ◽

10.1039/d1cp02860j ◽

2021 ◽

Author(s):

Weiyu Qian ◽

Bo Lu ◽

Gengwen Tan ◽

Guntram Rauhut ◽

Hansjörg Grützmacher ◽

...

Keyword(s):

Vibrational Spectrum ◽

Vibrational Spectra

The vibrational spectra of the simplest phosphaketene HPCO and its isotopologue DPCO in solid Ar-matrices at 12.0 K have been analyzed with the aid of the computations at the CCSD(T)-F12a/cc-pVTZ-F12...

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vibrational spectrum
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Strong ortho/para effects in the vibrational spectrum of Cl-(H2)

Potential Energy Distribution Study Of Beta Asarone and its Vibrational Spectrum and Force Constants

Anharmonic Vibrational Spectrum and Experimental Matrix Isolation Study of Thioformic Acid Conformers—Potential Candidates for Molecular Cloud and Solar System Observations?

The Polarizable Continuum Potential Model in the Liquid State Calculations. Density Functional Computational Analysis of the Anharmonic Vibrational Spectrum of Liquid Water

Low-frequency vibrational spectrum of mean-field disordered systems

Frequency filtering and vibrational spectrum of multiple-valley one-dimensional phononic crystals

Using nondirect product Wigner D basis functions and the symmetry-adapted Lanczos algorithm to compute the ro-vibrational spectrum of CH4–H2O

Mid-Infrared Vibrational Spectrum Characterization of the Outer Surface of Candida albicans by Functionally Enhanced Derivative Spectroscopy

New Dihydrogenhypodiphosphates of Alkaline‐Earth Metals:Preparation, Crystal Sructure, Vibrational Spectrum and Thermal Behavior of MH2P2O6 ∙ n H2O (M = Ca, Sr and n = 1.5, 2)

Vibrational Spectrum and Photochemistry of Phosphaketene HPCO

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vibrational spectrumRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Strong ortho/para effects in the vibrational spectrum of Cl-(H2)

Potential Energy Distribution Study Of Beta Asarone and its Vibrational Spectrum and Force Constants

Anharmonic Vibrational Spectrum and Experimental Matrix Isolation Study of Thioformic Acid Conformers—Potential Candidates for Molecular Cloud and Solar System Observations?

The Polarizable Continuum Potential Model in the Liquid State Calculations. Density Functional Computational Analysis of the Anharmonic Vibrational Spectrum of Liquid Water

Low-frequency vibrational spectrum of mean-field disordered systems

Frequency filtering and vibrational spectrum of multiple-valley one-dimensional phononic crystals

Using nondirect product Wigner D basis functions and the symmetry-adapted Lanczos algorithm to compute the ro-vibrational spectrum of CH4–H2O

Mid-Infrared Vibrational Spectrum Characterization of the Outer Surface of Candida albicans by Functionally Enhanced Derivative Spectroscopy

New Dihydrogenhypodiphosphates of Alkaline‐Earth Metals:Preparation, Crystal Sructure, Vibrational Spectrum and Thermal Behavior of MH2P2O6 ∙ n H2O (M = Ca, Sr and n = 1.5, 2)

Vibrational Spectrum and Photochemistry of Phosphaketene HPCO

vibrational spectrum
Recently Published Documents