Synthesis, spectral analysis (FT-IR, 1H NMR, 13C NMR and UV–visible) and quantum chemical studies on molecular geometry, NBO, NLO, chemical reactivity and thermodynamic properties of novel 2-amino-4-(4-(dimethylamino)phenyl)-5-oxo-6-phenyl-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.04.026 ◽

2015 ◽

Vol 1095 ◽

pp. 112-124 ◽

Cited By ~ 14

Author(s):

Shaheen Fatma ◽

Abha Bishnoi ◽

Anil Kumar Verma

Keyword(s):

Spectral Analysis ◽

Thermodynamic Properties ◽

13C Nmr ◽

Quantum Chemical ◽

Chemical Reactivity ◽

Molecular Geometry ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Uv Visible

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Spectroscopic (FT-IR, FT-Raman, NMR and UV–Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.04.174 ◽

2014 ◽

Vol 132 ◽

pp. 130-141 ◽

Cited By ~ 21

Author(s):

S. Suresh ◽

S. Gunasekaran ◽

S. Srinivasan

Keyword(s):

Salicylic Acid ◽

Thermodynamic Properties ◽

Quantum Chemical ◽

Molecular Geometry ◽

Frontier Molecular Orbital ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Uv Visible ◽

Ft Raman

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Spectroscopic (FT-IR, FT-Raman, and UV–visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindole

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.06.043 ◽

2014 ◽

Vol 133 ◽

pp. 626-638 ◽

Cited By ~ 9

Author(s):

Vikas K. Shukla ◽

Ebtehal S. Al-Abdullah ◽

Ali A. El-Emam ◽

Alok K. Sachan ◽

Shilendra K. Pathak ◽

...

Keyword(s):

Thermodynamic Properties ◽

Quantum Chemical ◽

Molecular Geometry ◽

Molecular Orbitals ◽

Frontier Molecular Orbitals ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Uv Visible ◽

Ft Raman

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Synthesis, spectral analysis and quantum chemical studies on molecular geometry, chemical reactivity of 7-chloro-9-(2′-chlorophenyl)-2,3-dihydroacridin-4(1H)-one and 7-chloro-9-(2′-fluorophenyl)-2,3-dihydroacridin-4(1H)-one

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.08.080 ◽

2017 ◽

Vol 1128 ◽

pp. 279-289 ◽

Cited By ~ 4

Author(s):

Rajendran Satheeshkumar ◽

Koray Sayin ◽

Werner Kaminsky ◽

Karnam Jayarampillai Rajendra Prasad

Keyword(s):

Spectral Analysis ◽

Quantum Chemical ◽

Chemical Reactivity ◽

Molecular Geometry ◽

Chemical Studies ◽

Quantum Chemical Studies

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Synthesis, spectral analysis and quantum chemical studies on molecular geometry of (2E,6E)-2,6-bis(2-chlorobenzylidene)cyclohexanone: Experimental and theoretical approaches

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.02.077 ◽

2016 ◽

Vol 1116 ◽

pp. 9-21 ◽

Cited By ~ 6

Author(s):

Anil Kumar Verma ◽

Abha Bishnoi ◽

Shaheen Fatma

Keyword(s):

Spectral Analysis ◽

Quantum Chemical ◽

Molecular Geometry ◽

Theoretical Approaches ◽

Chemical Studies ◽

Quantum Chemical Studies

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Vibrational (FT-IR and FT-Raman) spectra and quantum chemical studies on the molecular orbital calculations, chemical reactivity and thermodynamic parameters of 2-chloro-5-(trifluoromethyl) aniline

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.01.034 ◽

2013 ◽

Vol 107 ◽

pp. 72-81 ◽

Cited By ~ 14

Author(s):

T. Karthick ◽

V. Balachandran ◽

S. Perumal ◽

A. Nataraj

Keyword(s):

Thermodynamic Parameters ◽

Molecular Orbital ◽

Raman Spectra ◽

Quantum Chemical ◽

Chemical Reactivity ◽

Molecular Orbital Calculations ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Ft Raman

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Spectroscopic (FT-IR, FT-Raman, UV–Visible) and quantum chemical studies of 4-Chloro-3-iodobenzophenone

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.09.037 ◽

2017 ◽

Vol 1128 ◽

pp. 685-693 ◽

Cited By ~ 2

Author(s):

K. Venkata Prasad ◽

S. Muthu ◽

C. Santhamma

Keyword(s):

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Uv Visible ◽

Ft Raman

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Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2017.04.047 ◽

2017 ◽

Vol 183 ◽

pp. 284-290 ◽

Cited By ~ 7

Author(s):

M.A.M. El-Mansy

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Chemical Reactivity ◽

Indigo Carmine ◽

Nonlinear Optical Properties ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Indigo Carmine Dye

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Spectral analysis and quantum chemical studies of chair and twist-boat conformers of cycloheximide in gas and solution phases

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.10.037 ◽

2018 ◽

Vol 1154 ◽

pp. 428-436 ◽

Cited By ~ 1

Author(s):

A. Tokatli ◽

F. Ucun ◽

K. Sütçü ◽

Y.E. Osmanoğlu ◽

Ş. Osmanoğlu

Keyword(s):

Spectral Analysis ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Twist Boat

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Quantum chemical studies of FT-IR and Raman spectra of methyl 2,5-dichlorobenzoate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.05.032 ◽

2011 ◽

Vol 79 (5) ◽

pp. 1663-1668 ◽

Cited By ~ 15

Author(s):

Xiaopeng Xuan ◽

Cuiping Zhai

Keyword(s):

Raman Spectra ◽

Quantum Chemical ◽

Ir And Raman Spectra ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Ir And Raman

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Molecular structure, spectral investigation (1H NMR, 13C NMR, UV–Visible, FT-IR, FT-Raman), NBO, intramolecular hydrogen bonding, chemical reactivity and first hyperpolarizability analysis of formononetin [7-hydroxy-3(4-methoxyphenyl)chromone]: A quantum chemical study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2014.11.070 ◽

2015 ◽

Vol 1084 ◽

pp. 55-73 ◽

Cited By ~ 24

Author(s):

Anubha Srivastava ◽

Rashmi Mishra ◽

Sudhir Kumar ◽

Kapil Dev ◽

Poonam Tandon ◽

...

Keyword(s):

Quantum Chemical ◽

Chemical Reactivity ◽

Quantum Chemical Study ◽

Chemical Study ◽

Intramolecular Hydrogen Bonding ◽

First Hyperpolarizability ◽

Ft Ir ◽

Uv Visible ◽

Intramolecular Hydrogen ◽

Ft Raman

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