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

Normal coordinate analyses and spectroscopic studies of benzalbarbituric acid complexes

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

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

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

VIBRATIONAL SPECTRUM AND THERMODYNAMIC PROPERTIES OF PYRIDAZINE

A Study of the Component Formats Effect on I,onization Constants for A Number Schiff Pyridine Water and Ethanol with Variant Temperature Degrees

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

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

Determination The Structure of New Some Imines by Physical and Chemical Methods