Infrared and Raman spectra of binuclear aromatic molecules: a density functional theory study

Raman Spectra ◽

Density Functional ◽

Functional Theory ◽

Aromatic Molecules

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):

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

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):

Raman Spectra ◽

Density Functional ◽

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):

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

Functional Theory ◽

The Fourier Transform

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

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

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):

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

Functional Theory ◽

The Fourier Transform

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):

Raman Spectra ◽

Density Functional ◽

Fourier transform infrared and Raman spectra, vibrational assignment and density functional theory calculations of naphthazarin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(03)00186-0 ◽

2004 ◽

Vol 60 (1-2) ◽

pp. 111-120 ◽

Cited By ~ 22

Author(s):

Mansoureh Zahedi Tabrizi ◽

Sayyed Faramarz Tayyari ◽

Fariba Tayyari ◽

Mohammad Behforouz

Keyword(s):

Fourier Transform ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Vibrational Assignment ◽

Hybrid and gradient-corrected density functional theory computations of the cubane infrared and raman spectra

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04915-9 ◽

1997 ◽

Vol 394 (1) ◽

pp. 15-18 ◽

Cited By ~ 25

Author(s):

Branko S. Jursic

Keyword(s):

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Computations

Functional Theory ◽

Predicting whether aromatic molecules would prefer to enter a carbon nanotube: A density functional theory study

Journal of Computational Chemistry ◽

10.1002/jcc.26173 ◽

2020 ◽

Vol 41 (13) ◽

pp. 1261-1270

Author(s):

Dae‐Hwan Ahn ◽

Chiyoung Park ◽

Jong‐Won Song

Keyword(s):

Carbon Nanotube ◽

Density Functional ◽

Functional Theory ◽

Aromatic Molecules

Density functional theory studies on tautomeric stability and infrared and Raman spectra of some purine derivatives

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.12.066 ◽

2007 ◽

Vol 68 (3) ◽

pp. 823-832 ◽

Cited By ~ 6

Author(s):

V. Krishnakumar ◽

S. Dheivamalar

Keyword(s):

Raman Spectra ◽

Density Functional ◽

Purine Derivatives ◽

C-C and C-H bond cleavage reactions in the chrysene and perylene aromatic molecules: An ab-initio density functional theory study

European Journal of Chemistry ◽

10.5155/eurjchem.8.3.288-292.1561 ◽

2017 ◽

Vol 8 (3) ◽

pp. 288-292 ◽

Cited By ~ 1

Author(s):

Muthana Abduljabbar Shanshal ◽

Qhatan Adnan Yusuf

Keyword(s):

Ab Initio ◽

Density Functional ◽

Bond Cleavage ◽

Functional Theory ◽

Aromatic Molecules ◽

Cleavage Reactions