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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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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Elucidation of the active surface and origin of the weak metal–hydrogen bond on Ni/Pt(111) bimetallic surfaces: a surface science and density functional theory study

Surface Science ◽

10.1016/j.susc.2003.09.007 ◽

2003 ◽

Vol 544 (2-3) ◽

pp. 295-308 ◽

Cited By ~ 121

Author(s):

John R Kitchin ◽

Neetha A Khan ◽

Mark A Barteau ◽

Jingguang G Chen ◽

Boris Yakshinskiy ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Surface Science ◽

Density Functional ◽

Active Surface ◽

Density Functional Theory Study ◽

Functional Theory ◽

Bimetallic Surfaces

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Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20729f ◽

2011 ◽

Vol 13 (33) ◽

pp. 15299 ◽

Cited By ~ 25

Author(s):

Yufang Liu ◽

Yonggang Yang ◽

Kai Jiang ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Excited State ◽

Density Functional ◽

Dimethyl Sulfide ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Density functional theory study of Fourier transform infrared and Raman spectra of 2-amino-5-chloro benzonitrile

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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Insight into the Relationship between Viscosity and Hydrogen Bond of a Series of Imidazolium Ionic Liquids: A Molecular Dynamics and Density Functional Theory Study

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.9b02535 ◽

2019 ◽

Vol 58 (40) ◽

pp. 18848-18854 ◽

Cited By ~ 4

Author(s):

Kun Jiang ◽

Lei Liu ◽

Xiaomin Liu ◽

Xiaochun Zhang ◽

Suojiang Zhang

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Hydrogen Bond ◽

Ionic Liquids ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Imidazolium Ionic Liquids ◽

The Relationship ◽

Insight Into

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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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Unraveling the structure of hydrogen bond stretching mode infrared absorption bands: An anharmonic density functional theory study on 7-azaindole dimers

The Journal of Chemical Physics ◽

10.1063/1.2759213 ◽

2007 ◽

Vol 127 (5) ◽

pp. 054309 ◽

Cited By ~ 49

Author(s):

Jens Dreyer

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Infrared Absorption ◽

Density Functional ◽

Density Functional Theory Study ◽

Absorption Bands ◽

Functional Theory ◽

Bond Stretching ◽

Infrared Absorption Bands

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Matrix Isolation Infrared Spectroscopic and Density Functional Theory Study of the 1:1 Complex of Bromocyclohexane with NH3: Evidence for a Weak C–H–N Hydrogen Bond

Spectroscopy Letters ◽

10.1080/00387010802132409 ◽

2008 ◽

Vol 41 (4) ◽

pp. 179-188 ◽

Cited By ~ 1

Author(s):

Kyle R. Hess ◽

Cindy Samet

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Infrared Spectroscopic

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