V.P. Gupta

A combined experimental and quantum chemical (DFT and AIM) study on molecular structure, spectroscopic properties, NBO and multiple interaction analysis in a novel ethyl 4-[2-(carbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer

R.N. Singh, Amit Kumar, R.K. Tiwari et al. · Journal of Molecular Structure · 2012 · 96 citations

Natural Sciences, Chemistry, Physics +16

Structural and spectroscopic studies on 2-pyranones

Pallavi Thul, V.P. Gupta, Vishnu Ji Ram et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2009 · 93 citations

Natural Sciences, Chemistry, Medicinal Chemistry +12

Comparison of and limits of accuracy for statistical analyses of vibrational and electronic circular dichroism spectra in terms of correlations to and predictions of protein secondary structure

Petr Pančoška, E. Bitto, Marie Urbanová et al. · Protein Science · 1995 · 81 citations · Full text

Life Sciences, Biochemistry, Biophysics +17

Structural and spectroscopic studies on some chloropyrimidine derivatives by experimental and quantum chemical methods

V.P. Gupta, Archna Sharma, Ajit Virdi et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2005 · 68 citations

Natural Sciences, Chemistry, Medicinal Chemistry +12

Thermal degradation of poly(vinyl chloride). I. Structural effects in the initiation and decomposition chain lengths

V.P. Gupta, L. E. St. Pierre · Journal of Polymer Science Part A-1 Polymer Chemistry · 1970 · 47 citations

Natural Sciences, Chemistry, Materials Science +17