DFT, Electronic absorption spectra and Non-linear optical properties of some 4H-benzo[h]chromene Derivatives. Solvent effect and TD-DFT Approach

Synthesis and kinetic study for the interconversion process of some 2'–hydroxychalcones to their corresponding flavanones

Conformational study, Rotation Barrier and Solvent Effect of bi-1,2,3-triazole compounds using DFT calculations

Effect of Inter-molecular Hydrogen Bond on ESIHT In 2, 2’-Dihydroxychalcone

Synthesis, Electronic Structure, NLO Analysis and Antitumor Activity of Some Novel Quinolinones Derivatives: DFT Approach

Chemical Reactivity Study of Anew of Suggested Chemotherapy Agent Using DFT

Electronic Structure, Global Reactivity Descriptors and Nonlinear Optical Properties of Some Novel pyrazolyl quinolinone Derivatives. DFT approach

Vibrational Spectra, Normal Coordinate Analysis, and Structure of Keto Form of Acetylacetone: A DFT Approach

Electronic Structure, Spectra and Chemical Reactivity Descriptors of Some Novel Rhodanine Derivatives. Density Functional Theory Approach

Effecting the Donor Moieties on the Efficiency of D–π–A System Candidate for Optoelectronic Applications: A DFT Study