Density Functional Tight-Binding Studies of Carbon Nanotube Structures
Driven Chain Macromolecule in a Heterogeneous Membrane-Like Medium
Model Calculations of Radiation-Induced Damage in Thymine Derivatives
Slow Li + He Collisions
Molecular Modeling of Steroid–Nucleoside Conjugates
Study of the Influence of the Nature and Position of the Halogen Atom in the N-Halogenophenyl-2,5-dimethylpyrrole Upon the Vibrational (Hyper)polarizability
Computational Study of Endohedral IrSi9 + Isomers
A Computational Study of Chair–Twist Energy Differences and the Chair–Chair Conformational Interconversion in Tetrahydro-2H-thiopyran (Thiacyclohexane, Thiane)
A DFT and MP2 Study on the Molecular Structure and Vibrational Spectra of Halogenosubstituted Phosphoryl and Thiophosphoryl Compounds
Quantum Mechanical Study of the Syn and Anti Conformations of Solvated Cyclic GMP
Reviews in Computational Chemistry, Volume 18
Complexity in Chemistry