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Preface
Henryk Chojnacki, Prof. Dr Hab. (Quantum Chemistry)
Solvent and Substitution Influence on the Character of Tautomers Resulting From Proton Transfer Reaction in Some Phenol Derivatives
The Influence of Intermolecular Interactions on Second-Order Susceptibilities of Molecular Crystals
Expectation Values in Spin-Averaged Douglas–Kroll and Infinite-Order Relativistic Methods
Size-Nonextensive Contributions in Singles-Only CI
Modelisation of the Electric Field Linear Response of an Infinite Aggregate of All-Trans Hexatriene Chains by Electrostatic Interaction Model
Communication Theory Approach to the Chemical Bond
MM and QM/MM Modeling of Threonyl-tRNA Synthetase
Positronic Formaldehyde—the Configuration Interaction Study
Connected Triple Excitations in the Calculation of the Adiabatic Excitation Energies in the Equation-of-Motion Coupled Cluster Theory
A Note on Nonlinear Parameters in Variational Methods
Application of the DFT Theory to Study Cobalamin Complexes
On the Presumptive Similarity of Kohn–Sham and Brueckner Orbitals
Interaction of Dihydrogen With Transition Metal (Pd, Ni, Ag, Cu) Clusters
Analysis of First-Order Reactions with Distributed Parameters
Computational Determination of Nitroaromatic Solid Phase Heats of Formation
Reactive Bond-Order Simulations Using Both Spatial and Temporal Approaches to Parallelism
Ab Initio Study of Prednisolone, 6α-Fluoroprednisolone, 9α-Fluoroprednisolone, and 6α,9α-Difluoroprednisolone
Semiempirical Predictions of Chemical Degradation Reaction Mechanisms of CL-20 as Related to Molecular Structure
Ultrafast Auger Spectroscopy of Quantum Well Excitons in Strong Magnetic Fields
Modeling of Polymerization Behavior of Mixtures of Acrylates and Olefins via Computer Simulation
Sarin and Soman
A Nonempirical Quantum-Chemical Study and Natural Bond Orbital Analysis of C6H5XCY3 Species (X = SO or SO2, Y = H or F)
Paradoxes and Paradigms
Nobel Lectures, Physiology or Medicine 1996–2000