Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 3-hydroxy-2-naphthoic acid hydrazide

J. Karpagam; N. Sundaraganesan; S. Sebastian; S. Manoharan; M. Kurt

doi:10.1002/jrs.2408

Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 3-hydroxy-2-naphthoic acid hydrazide

Journal of Raman Spectroscopy ◽

10.1002/jrs.2408 ◽

2010 ◽

Vol 41 (1) ◽

pp. 53-62 ◽

Cited By ~ 55

Author(s):

J. Karpagam ◽

N. Sundaraganesan ◽

S. Sebastian ◽

S. Manoharan ◽

M. Kurt

Keyword(s):

Molecular Structure ◽

Acid Hydrazide ◽

First Order ◽

Naphthoic Acid ◽

Homo Lumo

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Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and density functional theory

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.10.008 ◽

2015 ◽

Vol 136 ◽

pp. 1227-1242 ◽

Cited By ~ 36

Author(s):

Noureddine Issaoui ◽

Houcine Ghalla ◽

S. Muthu ◽

H.T. Flakus ◽

Brahim Oujia

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Functional Theory ◽

First Order ◽

Hartree Fock ◽

Homo Lumo

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On the molecular structure, vibrational spectra, HOMO-LUMO, molecular electrostatic potential, UV–Vis, first order hyperpolarizability, and thermodynamic investigations of 3-(4-chlorophenyl)-1-(1yridine-3-yl) prop-2-en-1-one by quantum chemistry calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.11.033 ◽

2018 ◽

Vol 1155 ◽

pp. 484-495 ◽

Cited By ~ 21

Author(s):

Rachida Rahmani ◽

Nourdine Boukabcha ◽

Abdelkader Chouaih ◽

Fodil Hamzaoui ◽

Souraya Goumri-Said

Keyword(s):

Molecular Structure ◽

Quantum Chemistry ◽

Electrostatic Potential ◽

Vibrational Spectra ◽

Molecular Electrostatic Potential ◽

First Order ◽

Quantum Chemistry Calculations ◽

Homo Lumo

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Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 2-aminobenzimidazole

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.09.028 ◽

2011 ◽

Vol 84 (1) ◽

pp. 184-195 ◽

Cited By ~ 53

Author(s):

S. Sudha ◽

M. Karabacak ◽

M. Kurt ◽

M. Cinar ◽

N. Sundaraganesan

Keyword(s):

Molecular Structure ◽

First Order ◽

Homo Lumo

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Quantum chemical studies, vibrational analysis, molecular structure, first order hyper polarizability, NBO and HOMO–LUMO analysis of 3-hydroxybenzaldehyde and its cation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.06.024 ◽

2013 ◽

Vol 115 ◽

pp. 789-799 ◽

Cited By ~ 10

Author(s):

S. Muthu ◽

M. Prasath

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Vibrational Analysis ◽

First Order ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Homo Lumo

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Molecular structure, spectroscopic (FT-IR, FT-Raman) studies and first-order molecular hyperpolarizabilities, HOMO–LUMO, NBO analysis of 2-hydroxy-p-toluic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.11.052 ◽

2013 ◽

Vol 104 ◽

pp. 114-129 ◽

Cited By ~ 25

Author(s):

V. Balachandran ◽

A. Nataraj ◽

T. Karthick

Keyword(s):

Molecular Structure ◽

Nbo Analysis ◽

First Order ◽

Ft Ir ◽

Homo Lumo ◽

Ft Raman

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Vibrational spectra, molecular structure, NBO, HOMO–LUMO and first order hyperpoalarizability analysis of 1,4-bis(4-formylphenyl)anthraquinone by density functional theory

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.04.085 ◽

2014 ◽

Vol 131 ◽

pp. 225-234 ◽

Cited By ~ 7

Author(s):

R. Renjith ◽

Y. Sheena Mary ◽

Hema Tresa Varghese ◽

C. Yohannan Panicker ◽

Thies Thiemann ◽

...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Functional Theory ◽

First Order ◽

Homo Lumo

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Molecular structure, vibrational spectra, first order hyper polarizability, NBO and HOMO–LUMO analysis of 4-amino-3(4-chlorophenyl) butanoic acid

Solid State Sciences ◽

10.1016/j.solidstatesciences.2012.01.028 ◽

2012 ◽

Vol 14 (4) ◽

pp. 476-487 ◽

Cited By ~ 29

Author(s):

S. Muthu ◽

E. Isac Paulraj

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Butanoic Acid ◽

First Order ◽

Homo Lumo

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Molecular Structure, first Order Hyperpolarizability, NBO and HOMO-LUMO Analysis of Cinnoline-4-Carboxylic Acid

International Journal of Advanced Scientific Technologies in Engineering and Management Sciences ◽

10.22413/ijastems/2017/v3/i1/41312 ◽

2017 ◽

Vol 3 (1) ◽

pp. 10

Author(s):

S. Sindhu ◽

S. Muthu ◽

M. Raja ◽

R. Raj Muhamed

Keyword(s):

Molecular Structure ◽

Carboxylic Acid ◽

First Order ◽

Homo Lumo

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Molecular structure, vibrational spectroscopic, first order hyperpolarizability and HOMO–LUMO studies of 7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2010.11.044 ◽

2011 ◽

Vol 78 (2) ◽

pp. 660-669 ◽

Cited By ~ 11

Author(s):

M. Ramalingam ◽

V. Sethuraman ◽

N. Sundaraganesan

Keyword(s):

Molecular Structure ◽

Carboxylic Acid ◽

First Order ◽

Homo Lumo

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Molecular structure, spectroscopic (FTIR, FTIR gas phase, FT-Raman) first-order hyperpolarizability and HOMO-LUMO analysis of 4-methoxy-2-methyl benzoic acid

Journal of Raman Spectroscopy ◽

10.1002/jrs.2562 ◽

2010 ◽

Vol 41 (10) ◽

pp. 1369-1378 ◽

Cited By ~ 50

Author(s):

C. Meganathan ◽

S. Sebastian ◽

M. Kurt ◽

Keun Woo Lee ◽

N. Sundaraganesan

Keyword(s):

Molecular Structure ◽

Benzoic Acid ◽

Gas Phase ◽

First Order ◽

Homo Lumo ◽

Ft Raman

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