Vibrational spectroscopy investigation using ab initio and density functional theory on flucytosine

Journal of Raman Spectroscopy ◽

10.1002/jrs.1808 ◽

2007 ◽

Vol 38 (11) ◽

pp. 1523-1531 ◽

Author(s):

S. Seshadri ◽

S. Gunasekaran ◽

S. Muthu ◽

S. Kumaresan ◽

R. Arunbalaji

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.07.004 ◽

2007 ◽

Vol 67 (1) ◽

pp. 214-224 ◽

Author(s):

N. Sundaraganesan ◽

S. Illakiamani ◽

C. Meganathan ◽

B. Dominic Joshua

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3,4-dimethylbenzaldehyde

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.12.046 ◽

2007 ◽

Vol 68 (3) ◽

pp. 680-687 ◽

Author(s):

N. Sundaraganesan ◽

S. Ilakiamani ◽

B. Dominic Joshua

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-chloro-10-oxa-3-thia-tricyclo[5.2.1.01,5]dec-8-ene-3,3-dioxide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.03.015 ◽

2008 ◽

Vol 69 (1) ◽

pp. 105-112 ◽

Author(s):

Hakan Arslan ◽

Aydın Demircan ◽

Ersen Göktürk

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 2-amino-4,6-dimethoxypyrimidine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.01.042 ◽

2006 ◽

Vol 65 (5) ◽

pp. 1186-1196 ◽

Author(s):

N. Sundaraganesan ◽

K. Sathesh Kumar ◽

C. Meganathan ◽

B. Dominic Joshua

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-amino-o-cresol

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.12.036 ◽

2007 ◽

Vol 68 (3) ◽

pp. 619-625 ◽

Author(s):

N. Sundaraganesan ◽

C. Meganathan ◽

H. Saleem ◽

B. Dominic Joshua

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory on 3′-chloropropiophenone and 3′-nitropropiophenone

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.11.018 ◽

2010 ◽

Vol 75 (2) ◽

pp. 567-573 ◽

Author(s):

P. Udhayakala ◽

S. Seshadri ◽

T.V. Rajendiran ◽

S. Gunasekaran

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Functional Theory

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Comparison between in situ Total Internal Reflection Vibrational Spectroscopy of an Adsorbed Collector and Spectra Calculated by Ab Initio Density Functional Theory Methods

The Journal of Physical Chemistry C ◽

10.1021/jp071444l ◽

2007 ◽

Vol 111 (26) ◽

pp. 9299-9304 ◽

Author(s):

Andreas Fredriksson ◽

Pär Hellström ◽

Sven Öberg ◽

Allan Holmgren

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Total Internal Reflection ◽

Density Functional ◽

Internal Reflection ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 2,4,6-trinitrophenol

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2010.09.005 ◽

2011 ◽

Vol 963 (1) ◽

pp. 34-39 ◽

Author(s):

Li Xiao-Hong ◽

Zhang Xian-Zhou

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Theory Analysis ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-(6-benzoyl-2-oxobenzo[d]oxazol-3(2H)-yl)propanoic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.08.008 ◽

2008 ◽

Vol 70 (3) ◽

pp. 606-614 ◽

Author(s):

Hakan Arslan ◽

Öztekin Algül ◽

Tijen Önkol

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Propanoic Acid ◽

Theory Analysis ◽

Functional Theory

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Vibrational spectroscopy investigation using ab initio and density functional theory on p-anisaldehyde

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.07.050 ◽

2008 ◽

Vol 70 (3) ◽

pp. 550-556 ◽

Author(s):

S. Gunasekaran ◽

S. Seshadri ◽

S. Muthu ◽

S. Kumaresan ◽

R. Arunbalaji

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Functional Theory

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