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Structural, vibrational, electronic, NMR and reactivity analyses of 2-amino-4H-chromene-3-carbonitrile (ACC) by ab initio HF and DFT calculations.
This study represents an integrated approach towards understanding the vibrational, electronic, NMR, reactivity and structural aspects of 2-amino-4H-chromene-3-carbonitrile (ACC). A detailedExpand
  • 20
Investigation of molecular structure, vibrational, electronic, NMR and NBO analysis of 5-chloro-1-methyl-4-nitro-1H-imidazole (CMNI) using ab initio HF and DFT calculations
Abstract This study represents the vibrational, electronic, NMR, NLO and structural aspects of 5-chloro-1-methyl-4-nitro- 1H -imidazole (CMNI). A detailed interpretation of the FT-IR, FT-Raman, UVExpand
  • 14
Tautomeric stability, vibrational, electronic, NBO, and NMR analyses of N-[acetylamino-(3-nitrophenyl)methyl]-acetamide (ANPMA) by ab initio HF and DFT calculations
Abstract This study represents an integrated approach towards understanding the vibrational, electronic, NMR, reactivity and structural aspects of N-[acetylamino-(3-nitrophenyl)methyl]-acetamideExpand
  • 10
Structure, vibrational, electronic, NBO and NMR analyses of 3-methyl-2,6-diphenylpiperidin-4-one (MDPO) by experimental and theoretical approach
Abstract The optimized molecular struture,vibrational wavenumbers, atomic charges, molecular electrostatic potential, NBO, electronic properties, NLO, 1H NMR and 13C NMR chemical shifts of moleculeExpand
  • 13
Electro chemical study and polarographic assay of Clonazepam formulations
Electrochemical reduction behaviour of clonazepam has been carried out, by employing d.c. polarography, cyclic voltammetry, a.c. polarography and differential pulse polarography in the supportingExpand
  • 6
Structural, vibrational, electronic, NMR, NLO and reactivity analyses of (3Z)-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one (OPEDI) by ab initio HF and DFT calculations.
  • C. Sridevi, G. Velraj
  • Chemistry, Medicine
  • Spectrochimica acta. Part A, Molecular and…
  • 15 April 2013
This study represents the vibrational, electronic, NMR, NLO, reactivity and structural aspects of (3Z)-3-(2-oxo-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one (OPEDI). A detailed interpretation ofExpand
  • 10
Molecular structure, tautomeric stability, protonation and deprotonation effects, vibrational, NMR and NBO analyses of 2,4-Dioxoimidazolidine-5-acetic acid (DOIAA) by quantum chemical calculations.
  • C. Sridevi, G. Velraj
  • Chemistry, Medicine
  • Spectrochimica acta. Part A, Molecular and…
  • 5 March 2014
This study represents the conformation, tautomeric stability, protonation and deprotonation effects, vibrational, electronic, NBO and NMR aspects of 2,4-Dioxoimidazolidine-5-acetic acid (DOIAA).Expand
  • 3
Investigation of structure, vibrational, electronic, NBO and NMR analyses of 2-chloro-4-nitropyridine (CNP), 2-chloro-4-methyl-5-nitropyridine (CMNP) and 3-amino-2-chloro-4-methylpyridine (ACMP) by
This study reports about the optimized molecular structures, vibrational wavenumbers, atomic charges, molecular electrostatic potentials, NBO, electronic properties, (1)H NMR and (13)C NMR chemicalExpand
  • 3
A numerical investigation of transient MHD free convective flow of a nanofluid over a moving semi-infinite vertical cylinder
Purpose The purpose of this paper is to study numerically the influence of a magnetic field on the transient free convective boundary layer flow of a nanofluid over a moving semi-infiniteExpand
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FINITE DIFFERENCE ANALYSIS OF UNSTEADY MHD FREE CONVECTIVE FLOW OVER MOVING SEMI-INFINITE VERTICAL CYLINDER WITH CHEMICAL REACTION AND TEMPERATURE OSCILLATION EFFECTS
In the present study, the effects of chemical reaction on unsteady free convection flow of a viscous, electrically conducting, and incompressible fluid past a moving semi-infinite vertical cylinderExpand
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