Structural Chemistry

Molecular Modeling in Chromatoscopy as a New Tool in the Structure Elucidation of Novel Isomers by GC/MS

Transition metal atom adsorptions on a boron nitride nanocage

Thermochemical Study of the Cyanophenol Isomers

Structures of the Peptide-Water Complexes Studied by the Hybrid Quantum Mechanical - Molecular Mechanical (QM/MM) Technique

Structure of 4-[4-(Dimethylamino)-Phenylazo] Benzeneboronic Acid and Its Cyclic Esters with D-Glucose: A Computational Study

Some Aspects of the Implementation of Scaling Quantum Mechanical Molecular Force Fields

One- and Two-Dimensional Torsion-Inversion Models for the Fluoral Molecule (CF3CHO) in Excited Electronic States

Nonempirical Description of the Atmospherically Important Anionic Species. III. Hydrated Nitrogen Dioxide Anions

Nonempirical Description of the Atmospherically Important Anionic Species. II. Hydrated Ozone Anions

Nonempirical Description of the Atmospherically Important Anionic Species. I. Water Cluster Anions

Molecular Structures of Acetylene Derivatives of Tin. VIII Trimethylstannylacetylene: Use of Results of Quantum-Chemical Calculations and Spectroscopic Measurements in Analysis of Gas-Phase Electron Diffraction Data

Molecular Structure of Silatrane Determined by Gas Electron Diffraction and Quantum-Mechanical Calculations