Normal coordinate analysis of the enol form of pentane-2,4-dione and its 2H-isotopomers

Raman and Infrared Spectral Analysis, Normal Coordinate Analysis, DFT calculations of Novel Schiff Base Containing di-imine moieties

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

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

Theoretical Study for Isomerization of Some 2´-Hydroxychalcone Derivative by Using DFT Calculation

Normal coordinate analyses and spectroscopic studies of benzalbarbituric acid complexes

EXPERIENCE IN ANALYZING VIBRATIONAL SPECTRA OF SOLIDS AND SOLID-SOLID INTERACTIONS

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

DFT and NBO Studies of Stability, Electronic, and Structural Features of the 2-fluoroacetaldehyde Conformers

VIBRATIONAL SPECTRUM AND THERMODYNAMIC PROPERTIES OF PYRIDAZINE