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

Ft Ir ◽

Uv Visible ◽

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 ◽

Ft Ir ◽

Uv Visible ◽

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

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 ◽

Ft Ir ◽

Uv Visible

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

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 ◽

Ft Ir ◽

Uv Visible ◽

Retraction notice to: Experimental FT-IR, FT-Raman spectra and quantum chemical studies of optimized molecular structures, conformers and vibrational characteristics of Nicotinic acid and Thio-nicotinic acid [Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 96 (2012) 163–178]

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.08.042 ◽

2012 ◽

Vol 96 ◽

pp. R1 ◽

Cited By ~ 40

Author(s):

Priyanka Singh ◽

T.K. Yadav ◽

M. Karabacak ◽

R.A. Yadav ◽

N.P. Singh

Keyword(s):

Nicotinic Acid ◽

Raman Spectra ◽

Quantum Chemical ◽

Molecular Structures ◽

Vibrational Characteristics ◽

Chemical Studies ◽

Ft Ir ◽

Retraction Notice ◽

Spectroscopic and quantum chemical studies of molecular geometry, frontier molecular orbital, NLO, NBO analysis of 7-chloro-1 methyl-5-phenyl-1,5-dihydro-benzo[1,4]diazepine-2,4-dione

Optik ◽

10.1016/j.ijleo.2016.01.198 ◽

2016 ◽

Vol 127 (12) ◽

pp. 5055-5064 ◽

Cited By ~ 3

Author(s):

B. Sylaja ◽

S. Gunasekaran ◽

S. Srinivasan

Keyword(s):

Molecular Orbital ◽

Quantum Chemical ◽

Molecular Geometry ◽

Nbo Analysis ◽

Frontier Molecular Orbital ◽

Chemical Studies ◽

Quantum Chemical Studies

FT-Raman and FT-IR spectral and quantum chemical studies on some flavonoid derivatives: Baicalein and Naringenin

Journal of Raman Spectroscopy ◽

10.1002/jrs.2166 ◽

2008 ◽

Vol 40 (5) ◽

pp. 562-570 ◽

Cited By ~ 29

Author(s):

Ozan Unsalan ◽

Yusuf Erdogdu ◽

M. Tahir Gulluoglu

Keyword(s):

Quantum Chemical ◽

Chemical Studies ◽

Ft Ir ◽

FT-IR, FT-Raman, UV-Vis Spectra and Quantum Chemical Studies on Aspartame

International Journal of Science Technology and Humanities ◽

10.26524/ijsth4 ◽

2014 ◽

Vol 1 (1) ◽

pp. 18-29

Author(s):

Gunasekaran S ◽

Rajesh P ◽

Gnanasambandan T ◽

Manikandan A ◽

Seshadri S

Keyword(s):

Quantum Chemical ◽

Chemical Studies ◽

Ft Ir ◽

FT-IR and FT-Raman investigation, quantum chemical studies, molecular docking study and antimicrobial activity studies on novel bioactive drug of 1-(2,4-Dichlorobenzyl)-3-[2-(3-(4-chlorophenyl)-5-(4-(propan-2-yl)phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5(4H)-ylidence]-2,3-dihydro-1H-indol-2-one

10.1016/j.molstruc.2020.128244 ◽

2020 ◽

Vol 1215 ◽

pp. 128244 ◽

Cited By ~ 2

Author(s):

A. Viji ◽

V. Balachandran ◽

S. Babiyana ◽

B. Narayana ◽

Vinutha V. Salian

Keyword(s):

Antimicrobial Activity ◽

Molecular Docking ◽

Quantum Chemical ◽

Docking Study ◽

Molecular Docking Study ◽

Chemical Studies ◽

Ft Ir ◽

Combined experimental and quantum chemical studies on spectroscopic (FT-IR, FT-Raman, UV–Vis, and NMR) and structural characteristics of quinoline-5-carboxaldehyde

10.1016/j.molstruc.2016.06.066 ◽

2016 ◽

Vol 1125 ◽

pp. 302-309 ◽

Cited By ~ 1

Author(s):

Mustafa Kumru ◽

Ahmet Altun ◽

Mustafa Kocademir ◽

Vesile Küçük ◽

Tayyibe Bardakçı ◽

...

Keyword(s):

Quantum Chemical ◽

Structural Characteristics ◽

Chemical Studies ◽

Ft Ir ◽

Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3,5-Difluoroaniline

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.06.149 ◽

2015 ◽

Vol 135 ◽

pp. 283-295 ◽

Cited By ~ 35

Author(s):

S.K. Pathak ◽

R. Srivastava ◽

A.K. Sachan ◽

O. Prasad ◽

L. Sinha ◽

...

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Spectroscopic Analysis ◽

Reactivity Descriptors ◽

Chemical Studies ◽

Ft Ir ◽