Journal of Molecular Structure

Ab initio theoretical study of thiophene derivatives: 2-methylthiophene and 3-methylthiophene

X-ray diffraction and theoretical studies of the methyl ester of (R,R)-tartaric acid monoamide: semiempirical and ab initio calculations of some model compounds

Effect of CO pressure and temperature on Cu+-carbonyl complexes in over-exchanged and their perturbation on framework vibration. An FTIR study

Density functional studies of internal rotation: formamide as a prototype of the peptide bond

Crystal structure and vibrational spectra of the 1:1 and 1:2 complexes of pyridine betaine with pentachlorophenol

Conformational stability, structural parameters, and vibrational frequency assignments of ethylcyclobutane using infrared and Raman spectroscopy and ab initio calculations

Conformational stability from temperature dependent FT-IR spectra of liquid rare gas solutions, barriers to internal rotation, vibrational assignment, structural parameters and ab initio calculations for 3-bromopropene

Combined matrix-isolation FT-IR and ab-initio 6-31++G** studies on tautomeric properties of nucleic acid bases and simpler model molecules

Benzenoids with branching graphs being trees

Application of the NQR method for studying polymer materials

Analysis of pigments in polychromes by use of laser induced breakdown spectroscopy and Raman microscopy

Adsorption of carbon monoxide on activated carbon-tin ligand