Javeed Ahmad War

FT-IR, NBO, HOMO–LUMO, MEP analysis and molecular docking study of 1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone

Y. Sheena Mary, C. Yohannan Panicker, M. Sapnakumari et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 84 citations

Engineering, Mep Analysis, Organic Chemistry +6

Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

Y. Sheena Mary, C. Yohannan Panicker, M. Sapnakumari et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 81 citations

Engineering, Structure Elucidation, Organic Chemistry +7

FT-IR, HOMO–LUMO, NBO, MEP analysis and molecular docking study of 3-Methyl-4-{(E)-[4-(methylsulfanyl)-benzylidene]amino}1H-1,2,4-triazole-5(4H)-thione

C. Yohannan Panicker, Hema Tresa Varghese, P.S. Manjula et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 52 citations

Engineering, Biochemistry, Mep Analysis +8

Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations

Javeed Ahmad War, K. Jalaja, Y. Sheena Mary et al. · Journal of Molecular Structure · 2016 · 48 citations

Organic Charge-transfer Compound, Engineering, Optoelectronic Properties +10

Design, synthesis and DNA-binding study of some novel morpholine linked thiazolidinone derivatives

Javeed Ahmad War, S. K. Srivastava · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2016 · 47 citations

Novel Morpholine, Combinatorial Chemistry, Bioorganic Chemistry +11