Molecular structures, FT-IR and FT-Raman spectra, NBO analysis, NLO properties, reactive sites and quantum chemical calculations of keto–enol tautomerism (2-amino-4-pyrimidinol and 2-amino-pyrimidine-4(1H)-one)

Raman Spectra ◽

Quantum Chemical ◽

Nbo Analysis ◽

Molecular Structures ◽

Nlo Properties ◽

Ft Ir ◽

Amino Pyrimidine ◽

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 ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Retraction Notice ◽

FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.05.034 ◽

2014 ◽

Vol 133 ◽

pp. 165-177 ◽

Cited By ~ 11

Author(s):

L. Sinha ◽

O. Prasad ◽

S. Chand ◽

A.K. Sachan ◽

S.K. Pathak ◽

...

Keyword(s):

Electronic Properties ◽

Spectroscopic Investigation ◽

Quantum Chemical ◽

Nbo Analysis ◽

Ft Ir ◽

FT-IR, FT-Raman spectra and quantum chemical calculations of 3,4-dimethoxyaniline

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.07.026 ◽

2008 ◽

Vol 70 (1) ◽

pp. 50-59 ◽

Cited By ~ 15

Author(s):

N. Sundaraganesan ◽

M. Priya ◽

C. Meganathan ◽

B. Dominic Joshua ◽

J.P. Cornard

Keyword(s):

Raman Spectra ◽

Quantum Chemical ◽

Ft Ir ◽

RETRACTED: 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

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.04.063 ◽

2012 ◽

Vol 96 ◽

pp. 163-178 ◽

Cited By ~ 1

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 ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.02.035 ◽

2013 ◽

Vol 109 ◽

pp. 298-307 ◽

Cited By ~ 26

Author(s):

Leena Sinha ◽

Mehmet Karabacak ◽

V. Narayan ◽

Mehmet Cinar ◽

Onkar Prasad

Keyword(s):

Molecular Structure ◽

Electronic Properties ◽

Quantum Chemical ◽

Spectroscopic Characterization ◽

Nbo Analysis ◽

Ft Ir ◽

FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.12.022 ◽

2008 ◽

Vol 70 (2) ◽

pp. 430-438 ◽

Cited By ~ 11

Author(s):

N. Sundaraganesan ◽

C. Meganathan ◽

B. Karthikeyan

Keyword(s):

Raman Spectra ◽

Quantum Chemical ◽

Ft Ir ◽

Ft Raman ◽

Acetic Acids

Molecular structure, NBO analysis of the hydrogen-bonded interactions, Spectroscopic (FT–IR, FT–Raman), drug likeness and molecular docking of the novel anti COVID-2 molecule (2E)-N-methyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]-hydrazinecarbothioamide (Dimer) - Quantum chemical approach

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2020.119388 ◽

2020 ◽

pp. 119388

Author(s):

S.J. Jenepha Mary ◽

Sayantan Pradhan ◽

C. James

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Quantum Chemical ◽

Nbo Analysis ◽

The Novel ◽

Chemical Approach ◽

Ft Ir ◽

Quantum Chemical Approach ◽

Ft Raman ◽

Hydrogen Bonded

Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation, conformational stability, NLO properties, HOMO–LUMO and NBO analysis of hydroxyquinoline derivatives by density functional theory calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.05.011 ◽

2013 ◽

Vol 114 ◽

pp. 449-474 ◽

Cited By ~ 13

Author(s):

N. Prabavathi ◽

A. Nilufer ◽

V. Krishnakumar

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Conformational Stability ◽

Density Functional Theory Calculations ◽

Nbo Analysis ◽

Functional Theory ◽

Nlo Properties ◽

Ft Ir ◽

Homo Lumo ◽

Molecular structure analysis and spectroscopic characterization of carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2013.07.055 ◽

2013 ◽

Vol 1052 ◽

pp. 38-49 ◽

Cited By ~ 2

Author(s):

T. Gnanasambandan ◽

S. Gunasekaran ◽

S. Seshadri

Keyword(s):

Molecular Structure ◽

Structure Analysis ◽

Quantum Chemical ◽

Spectroscopic Characterization ◽

Ft Ir ◽

Molecular Structure Analysis ◽

The molecular structures, vibrational spectroscopies (FT-IR and Raman) and quantum chemical calculations of n-alkyltrimethylammonium bromides

Optics and Spectroscopy ◽

10.1134/s0030400x13110076 ◽

2013 ◽

Vol 115 (5) ◽

pp. 632-644 ◽

Cited By ~ 18

Author(s):

Halil Gökce ◽

Semiha Bahçeli

Keyword(s):

Quantum Chemical ◽

Molecular Structures ◽

Alkyltrimethylammonium Bromides ◽

Vibrational Spectroscopies ◽

Ft Ir ◽

Ir And Raman