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Quantum Frontiers of Atoms and Molecules
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Editors: Mihai V. Putz (West University of Timisoara, Chemistry Dept., Timisoara, Romania)
Book Description:
This volume gives larger and deeper coverage of the electronic matters through the physical, chemical and biological ordered systems. With their increasing complexity,the matter structure from the physical to chemical to biological manifestations in an inter-disciplinary cross-fertilization manner is gradually introduced. The book presents and reviews the avant-garde contributions for the XXI century with equilibrated contents provided by important scientists worldwide demonstrating a valuable impact on quantum fundamentals and applications. In fact, the present volume attempts to serve the unification of the physical-chemical-biological manifestation of atoms in molecules and in nanostructures by means of expanding the quantum frontiers by conjunction, either with relativity, topological information or graph theories as well.

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Table of Contents:
FOREWORD: ATOMS AND MOLECULES AS THE QUANTUM FRONTIERS OF LIFE
(Mihai V. Putz, Chemistry Department, West University of Timisoara, Timisoara, ROMANIA)

1. FULFILLING THE DIRAC PROMISES ON QUANTUM CHEMICAL BOND pp.1-20
(Mihai V. Putz)

2. DUALITY WITHIN THE STRUCTURE OF COMPLEMENTARITY: RIGHT WHERE IT HAS NO PLACE TO BE pp.21-40
(Constantin Antonopoulos, National Technological University of Athens, Athens, GREECE)

3. COMPLEMENTARITY OUT OF CONTEXT: ESSAY ON THE RATIONALITY OF BOHR’S THOUGHT pp.41-60
(Constantin Antonopoulos)

4. MOLECULAR INTEGRALS OVER SLATER-TYPE ORBITALS. FROM PIONEERS TO RECENT PROGRESS pp.61-90
(Philip E. Hoggan, Maria Belen Ruiz, Telhat Ozdogan, Institute for Theoretical Chemistry, Friedrich-Alexander University Erlangen-Nürnberg, Erlangen, GERMANY)

5. TUNNELING DYNAMICS AND ITS SIGNATURES IN COUPLED SYSTEMS pp.91-110
(S. Ghosh,Sankar Prasad Bhattacharyya, Department of Physical Chemistry; Indian Association for the Cultivation of Science, Jadavpur, Kolkata, INDIA)

6. THEORETICAL CALCULATION OF THE LOW LAYING ELECTRONIC STATES OF THE MOLECULAR ION CSH+ WITH SPIN-ORBIT EFFECTS pp.l11-140
(M. Korek, H. Jawhari, (Faculty of Science, Beirut Arab University, LEBANON)

7. THEORETICAL EXPLANATION OF LIGHT AMPLIFYING BY POLYETHILENE FOIL pp.141-156
(Vjekoslav Sajfert, Dusan Popov, Stevo Jacimovski, Bratislav Tosic, Department of Physics, University „Politehnica” of Timisoara, Timisoara, ROMANIA)

8. ANHARMONIC EFFECTS IN NORMAL MODE VIBRATIONS: THEIR ROLE IN BIOLOGICAL SYSTEMS pp. 157-190
(Attila Bende, National Institute of R&D of Isotopic and Molecular Technologies, ROMANIA)

9. EMERGENT PROPERTIES IN BOHMIAN CHEMISTRY pp.191-216
(Jan C. A. Boeyens, University of Pretoria, Faculty of Natural and Agricultural Sciences, Pretoria, SOUTH AFRICA)

10. THE ALGEBRAIC CHEMISTRY OF MOLECULES AND REACTIONS pp.217-250
(Cynthia Kolb Whitney, Galilean Electrodynamics, Proceedings of the Natural Philosophy Alliance, Arlington, MA, USA)

11. QUANTUM AND ELECTRODYNAMIC VERSATILITY OF ELECTRONEGATIVITY AND CHEMICAL HARDNESS pp.251-276
(Mihai V. Putz)

12. PHYSICS AND CHEMISTRY OF CARBON IN THE LIGHT OF SHELL-NODAL ATOMIC MODELp.277-324
(George P. Shpenkov, FIRMUS S.A.R.L., Charlotte MC, MONACO)

13. MOLECULAR MODELING OF THE PEANUT LECTIN – CARBOHYDRATE INTERACTION BY MEANS OF THE HYBRID QM/MM METHO pp.325-342
(Alexei N. Pankratov, Nikolay A. Bychkov, Olga M. Tsivileva,
Division of Analytical Chemistry and Chemical Ecology, N.G. Chernyshevskii Saratov State University, RUSSIA

14. ELECTRON DENSITY DISTRIBUTIONS OF HETEROCYCLES: A SHORTCOMING OF THE RESONANCE MODEL pp.343-366
(Ricardo A. Mosquera, Marcos Mandado, Laura Estevez, Nicolas Otero, Departamento de Química Física Facultade de Ciencias, Bloque E, Planta 2ª, Campus Universitario de Vigo Lagoas-Marcosende Vigo, SPAIN

15. ELECTROMERISM IN SMALL MOLECULE ACTIVATION BY METAL CENTERS OF BIOLOGICAL RELEVANCE 00.367-386
(Radu Silaghi-Dumitrescu, “Babes-Bolyai” University, Department of Chemistry, Cluj-Napoca RO-40028, ROMANIA)

16. STRUCTURAL MODELLING OF NANO-CARBONS AND COMPOSITES pp.387-424
(Mihai Popescu, Florinel Sava, National Institute R&D of Materials Physics, ROMANIA)

17. NANOSTRUCTURE DESIGN - BETWEEN SCIENCE AND ART pp.425-478
(Mircea V. Diudea, Faculty of Chemistry and Chemical Engineering “Babes-Bolyai” University A., ROMANIA)

18. QUANTIFYING STRUCTURAL COMPLEXITY OF GRAPHS: INFORMATION MEASURES IN MATHEMATICAL CHEMISTRY pp.479-498
(Matthias Dehmer, Frank Emmert-Streib, Yury Robertovich Tsoy, Kurt Varmuza, Institute for Bioinformatics and Translational Research,
UMIT, Austria)

19. TOPOLOGICAL INDICES OF NANOSTRUCTURES pp.499-520
(Ali Reza Ashrafi, Department of Mathematics, Faculty of Science University of Kashan, IRAN

20. ON UNIFORM REPRESENTATION OF PROTEINS BY DISTANCE MATRIX pp.521-538
(M. Randic, M. Vracko, M. Novic, D. Plavsic, Laboratory for Chemometrics, National Institute of Chemistry, SLOVENIA)

21. TIMISOARA SPECTRAL – STRUCTURE ACTIVITY RELATIONSHIP pp.539-588 (SPECTRAL-SAR) ALGORITHM: FROM STATISTICAL AND ALGEBRAIC FUNDAMENTALS TO QUANTUM CONSEQUENCES
(Mihai V. Putz & Ana-Maria Putz, Chemistry Department, West University of Timisoara & Institute of Chemistry of Romanian Academy, Timisoara, ROMANIA )

22. ON PLOTS IN QSAR/QSPR METHODOLOGIES pp.589-606
(Emili Besalu, Jesus Vicente De Julian Ortiz, Lionello Pogliani,
Inst. of Computational Chemistry, Universitat de Girona, Facultat de Ciències, Girona, SPAIN)

23. APPLICATION OF THE FUZZY LOGIC THEORY TO QSPR-QSAR STUDIES pp.607-628
(Pablo R. Duchowicz, Eduardo A. Castro Research Institute of Theoretical and Applied Physical Chemistry, La Plata National University, Buenos Aires, ARGENTINA)

24. MODELING THE TOXICITY OF ALCOHOLS. TOPOLOGICAL INDICES VERSUS VAN DER WAALS MOLECULAR DESCRIPTORS pp.629-668
(Dan Ciubotariu, Vicentiu Vlaia, Ciprian Ciubotariu, Tudor Olariu, Mihai Medeleanu, University of Medicine and Pharmacy “Victor Babeþ” Timiþoara, ROMANIA)

INDEX pp.669

   Series:
      Chemistry Research and Applications
   Binding: Hardcover
   Pub. Date: 2011
   Pages: 7 x 10, 673 PP.
   ISBN: 978-1-61668-158-6
   Status: AV
  
Status Code Description
AN Announcing
FM Formatting
PP Page Proofs
FP Final Production
EP Editorial Production
PR At Prepress
AP At Press
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