Vibrational spectra and assignments of 5-amino-2-chlorobenzoic acid by ab initio Hartree–Fock and density functional methods

N. Sundaraganesan; B. Dominic Joshua; K. Settu

doi:10.1016/j.saa.2006.03.008

Vibrational spectra and assignments of 5-amino-2-chlorobenzoic acid by ab initio Hartree–Fock and density functional methods

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.03.008 ◽

2007 ◽

Vol 66 (2) ◽

pp. 381-388 ◽

Cited By ~ 44

Author(s):

N. Sundaraganesan ◽

B. Dominic Joshua ◽

K. Settu

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Chlorobenzoic Acid ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods ◽

Vibrational Spectra And Assignments

Download Full-text

Vibrational spectra and assignments of 2-amino-5-iodopyridine by ab initio Hartree–Fock and density functional methods

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.08.040 ◽

2007 ◽

Vol 67 (3-4) ◽

pp. 830-836 ◽

Cited By ~ 19

Author(s):

N. Sundaraganesan ◽

C. Meganathan ◽

B. Anand ◽

B. Dominic Joshua ◽

Christine Lapouge

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods ◽

Vibrational Spectra And Assignments

Download Full-text

Crystal Structure and Vibrational Spectra of 3-Chloro-4-Phenyl-6-(Morpholine-4-yl)-Pyridazine by Hartree-Fock and Density Functional Methods

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2014.915664 ◽

2015 ◽

Vol 606 (1) ◽

pp. 216-236 ◽

Cited By ~ 2

Author(s):

Abdullah Aydin ◽

Hakan Arslan ◽

Murat Şüküroğlu ◽

Mehmet Akkurt ◽

Orhan Büyükgüngör

Keyword(s):

Crystal Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods

Download Full-text

Vibrational assignments of ?-acetyl - ?- butyrolactone by ab initio Hartree-Fock and Density Functional methods

International Journal of ChemTech Research ◽

10.20902/ijctr.2018.110620 ◽

2018 ◽

Keyword(s):

Ab Initio ◽

Density Functional ◽

Vibrational Assignments ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods

Download Full-text

The molecular structure and vibrational spectra of 2-chloro-N-(diethylcarbamothioyl)benzamide by Hartree–Fock and density functional methods

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.02.015 ◽

2007 ◽

Vol 68 (5) ◽

pp. 1347-1355 ◽

Cited By ~ 76

Author(s):

Hakan Arslan ◽

Ulrich Flörke ◽

Nevzat Külcü ◽

Gün Binzet

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods

Download Full-text

The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) by Hartree-Fock and density functional methods

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.02.001 ◽

2006 ◽

Vol 65 (3-4) ◽

pp. 964-968 ◽

Cited By ~ 4

Author(s):

Y. Atalay ◽

F. Yakuphanoglu ◽

M. Sekerci

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods

Download Full-text

The molecular structure and vibrational spectra of N-(2,2-diphenylacetyl)-N′-(naphthalen-1yl)-thiourea by Hartree–Fock and density functional methods

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.10.049 ◽

2009 ◽

Vol 72 (3) ◽

pp. 561-571 ◽

Cited By ~ 19

Author(s):

Hakan Arslan ◽

Demet Sezgin Mansuroglu ◽

Don VanDerveer ◽

Gun Binzet

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods

Download Full-text

Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree–Fock and density functional method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.03.031 ◽

2008 ◽

Vol 69 (1) ◽

pp. 198-204 ◽

Cited By ~ 26

Author(s):

N. Sundaraganesan ◽

B. Anand ◽

C. Meganathan ◽

B. Dominic Joshua ◽

H. Saleem

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method ◽

Hartree Fock ◽

Vibrational Spectra And Assignments

Download Full-text

Vibrational spectrum and assignments of 2-(4-methoxyphenyl)-1H-benzo[d]imidazole by ab initio Hartree–Fock and density functional methods

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.07.027 ◽

2008 ◽

Vol 70 (1) ◽

pp. 109-116 ◽

Cited By ~ 48

Author(s):

Hakan Arslan ◽

Öztekin Algül

Keyword(s):

Vibrational Spectrum ◽

Ab Initio ◽

Density Functional ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods

Download Full-text

Computation and interpretation of vibrational spectra on the structure of Losartan using ab initio and Density Functional methods

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.05.017 ◽

2014 ◽

Vol 132 ◽

pp. 375-386 ◽

Cited By ~ 5

Author(s):

B. Latha ◽

S. Gunasekaran ◽

S. Srinivasan ◽

G.R. Ramkumaar

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Methods ◽

Functional Methods

Download Full-text

Molecular structure, vibrational spectra, NBO analysis, first hyperpolarizability, and HOMO, LUMO studies of mesityl chloride by density functional methods

Journal of Molecular Structure ◽

10.1016/j.molstruc.2011.10.035 ◽

2012 ◽

Vol 1007 ◽

pp. 136-145 ◽

Cited By ~ 21

Author(s):

V. Balachandran ◽

K. Parimala

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Nbo Analysis ◽

First Hyperpolarizability ◽

Density Functional Methods ◽

Functional Methods ◽

Homo Lumo

Download Full-text