Search Results - "Virdi, Ajit"

Theoretical study of structure, vibrational and electronic spectra of isomers of methyl-3-methoxy-2-propenoate by Virdi Ajit, Gupta V., Sharma Archna

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Structural and spectroscopic studies on some chloropyrimidine derivatives by experimental and quantum chemical methods by Gupta, V.P., Sharma, Archna, Virdi, Ajit, Ram, Vishnuji

“…Ab initio quantum chemical and experimental spectroscopic studies in the infrared (4000–60 cm −1) and UV spectral regions are being reported on…”
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Conformational stability, optimized geometries, vibrational and electronic spectra of methacryloyl bromide in ground and excited electronic states by Sharma, Archna, Gupta, V.P., Virdi, Ajit

“…In order to understand conformational isomerism in methacryloyl bromide (MABR) in the ground (S 0) and the first excited (S 1) electronic states and to…”
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RHF and DFT based study of the structure, thermodynamic properties and electronic spectra of methacryloyl halides by Sharma, Archna, Gupta, V P, Virdi, Ajit

“…Advanced level theoretical studies using Density Functionals Thoery (DFT) and Hartree-Fock (HF) methods involving extended basis sets with the inclusion of…”
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Ab initio studies on conformation, vibrational and electronic spectra of methyl methacrylate by Virdi, Ajit, Gupta, V.P, Sharma, Archna

“…A systematic quantum mechanical study of the possible conformations, their relative stabilities, vibrational and electronic spectra and thermodynamic…”
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Molecular structure, conformation, vibrational and electronic spectra of methyl trans crotonate by Virdi, Ajit, Gupta, V.P., Sharma, Archna

“…Rotational isomerism in methyl trans crotonate (MC) and its properties in the ground (S 0) and first excited (S 1) electronic states have been studied by…”
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