Quantum Systems in Physics, Chemistry, and Biology

Part I. Quantum Methodology

1. Towards the Inclusion of Dissipative Effects in Quantum Time-Dependent Mean-Field Theories
L. Lacombe, M. Vincendon, P. M. Dinh, P.-G. Reinhard, E. Suraud

2. On the Ordering of Orbital Energies in the ROHF Method: Koopmans’ Theorem versus Aufbau Principle
B. N. Plakhutin, A. V. Novikov, N. E. Polygalova, T. E. Prokhorov

3. Spin Effects in sp

2
Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory
Elena F. Sheka

4. Population Analyses Based on Ionic Partition of Overlap Distributions
Ya Kun Chen, Yan Alexander Wang

5. Topological Quantum Computation with Non-Abelian Anyons in Fractional Quantum Hall States
Lachezar S. Georgiev

Part II. Structure and Dynamics

6. Rb



















Gerardo Delgado-Barrio, Pablo Villarreal

7. Water Structuring at Non-Polar Fluid Interfaces
Yana Tsoneva, Alia Tadjer

8. Molecular Design of Organometallic Materials: Effect of the Metallophilic Interactions, Ligand, Metal, and Oxidation State
Julia Romanova, M. R. Ranga Prabhath, Yousif Sadik, Peter D. Jarowski

9. Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metals and Semiconductors: A Review
A. V. Glushkov, A. A. Svinarenko, O. Yu. Khetselius, Yu. V. Dubrovskaya, A. S. Kvasikova, A. A. Kuznetsova, E. L. Ponomarenko

10. Non-Linear Chaotic Dynamics of Quantum Systems: Molecules in an Electromagnetic Field and Laser Systems
A. V. Glushkov, V. V. Buyadzhi, A. S. Kvasikova, A. V. Ignatenko, A. A. Kuznetsova, G. P. Prepelitsa, V. B. Ternovsky

11. Landau Quantisation of Electron Motion in the Crust of Highly Magnetised Neutron Stars
N. Chamel, Y. D. Mutafchieva, Zh. K. Stoyanov, L. M. Mihailov, R. L. Pavlov

Part III. Atomic and Molecular Properties

12. Electronic and Nuclear Dynamics for a Non-Equilibrium Electronic State: The Ultrafast Pumping of N2

J. Šmydke, J. Ajay, F. Remacle, R. D. Levine

13. On the Inter-Ring Torsion Potential of 2,2′-Bithiophene: A Review of Open Problems and Current Proposals
Olga A. Guskova

14. Theoretical Exploration of the Vibrational Structure and IVR of S0 Thiophosgene at High Excitation Energies
Svetoslav Rashev, David C. Moule

15. Why is the “Donor-Acceptor” Stretching a sine qua non in Understanding the Vibrational Signatures of Ionic Hydrogen Bonds?
Jake A. Tan, Jer-Lai Kuo

16. Relativistic Many-Body Perturbation Theory Calculations of the Hyperfine Structure and Oscillator Strength Parameters for Some Heavy Element Atoms and Ions
O. Yu. Khetselius, P. A. Zaichko, A. V. Smirnov, V. V. Buyadzhi, V. B. Ternovsky, T. A. Florko, V. F. Mansarliysky

17. Effects of Isotope Characteristics on the Electron System Ground State Energy of Helium-Like Ions
Ch. J. Velchev, R. L. Pavlov, D. Tonev, Zh. K. Stoyanov, L. M. Mihailov, Y. D. Mutafchieva, D. Neck

Part IV. Biochemistry and Biophysics

18. Computational Study of Michellamines: Naphthylisoquinoline Alkaloids with Anti-HIV Activity
Liliana Mammino, Mireille K. Bilonda

19. Integrated Computational Studies on Mutational Effects of a Nylon-Degrading Enzyme
Takeshi Baba, Katsumasa Kamiya, Yasuteru Shigeta

20. Damage Induced by Proton Collisions on Building Blocks of Life
Marie-Christine Bacchus-Montabonel

21. How Can the Green Sulfur Bacteria in the Depths of the Black Sea Use Quantum Computing for Light Harvesting?
Deiana Drakova, Gerold Doyen

Part V. Fundamental Theory

22. The Dirac Operator in Quantum Chemistry and Physics
Jacek Karwowski

23. A Coherent Resonant Cosmology Approach and its Implications in Microphysics and Biophysics
Francis M. Sanchez

24. The Origin and Evolution of Complex Enough Systems in Biology
Erkki Brändas

Avainsanat: Chemistry, Theoretical and Computational Chemistry, Quantum Physics, Computer Appl. in Life Sciences, Nanotechnology, Physical Chemistry