Part I. Quantum Chemistry Methodology
A Portal for Quantum Chemistry Data Based on the Semantic Web
Matrix Elements for Explicitly-Correlated Atomic Wave Functions
Effective Bond-Strength Indicators
Advanced Relativistic Energy Approach in Electron Collisional Spectroscopy of Multicharged Ions in a Debye Plasma
Relativistic Quantum Chemistry and Spectroscopy of Exotic Pionic Atomic Systems with Accounting for Strong Interaction Effects
Part II. Molecular Structure and Dynamics
Difference of Chirality of the Electron Between Enantiomers of H2X2
A Crystallographic Review of Alkali Borate Salts and Ab initio Study of Borate Ions / Molecules
An Ab initio Study of Boric Acid, Borate, and their Interconversion
Construction of a Potential Energy Surface based on a Diabatic Model for Proton Transfer in Molecular Pairs
Ab initio Investigations of Stable Geometries of the Atmospheric Negative Ion NO3-(HNO3)2 and its Monohydrate
A Theoretical Study of Covalent Bonding Formation Between Helium and Hydrogen
Small Rhodium Clusters: a HF and DFT Study - III
Spectroscopy of Radiative Decay Processes in Heavy Rydberg Alkali Atomic Systems
Enhancement Factors for Positron Annihilation on Valence and Core Orbitals of Noble-Gas Atoms
Geometric Phase and Interference Effects in Ultracold Chemical Reactions
Part III. Biochemistry and Biophysics
Adducts of Arzanol with Explicit Water Molecules: an Ab initio and DFT Study
Computational Study of Jozimine A2, a Naphthylisoquinoline
Alkaloid with Antimalarial Activity
Part IV. Fundamental Theory
Functional Derivatives and Differentiability in Density-Functional Theory
The Dirac Electron and Elementary Interactions: the Gyromagnetic Factor, Fine-Structure Constant, and Gravitational Invariant - Deviations from Whole Numbers
A Simple Communication Hypothesis: the Process of Evolution Reconsidered
