Molecular dynamic Investigation of HN2 on a Potential Energy Surface designed by Lie Algebra Method

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

VIBRATIONAL SPECTRUM AND THERMODYNAMIC PROPERTIES OF PYRIDAZINE

Molecular Structure, Conformational Preference and Vibrational Spectral Analysis of 2-, and 3- Furancarboselenaldehyde Using DFT

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

Spectroscopic Investigation of Para-Methyl and Para-Methoxy Maleanilinic Acids in Comparison with Thermal Analyses and Theoretical Calculations and Evaluation of Cytotoxicity Against Carcinoma Cells

A QUANTUM CHEMICAL STUDY ON THE INFLUENCE OF THE FRONTIER ORBITAL ENERGIES OF BIO- MOLECULES

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

THERMO- ANALYTICAL STUDIES OF HMX

Preparation and Characterization of 3-nitro-1,2,4-triazole-5- one (NTO) Explosive