Nova Publishers
My Account Nova Publishers Shopping Cart
HomeBooksSeriesJournalsReference CollectionseBooksInformationSalesImprintsFor Authors
  Top » Catalog » Books » Chemistry including Chemical Engineering » My Account  |  Cart Contents  |  Checkout   
Quick Find
Use keywords to find the product you are looking for.
Advanced Search
What's New? more
Advances in Health and Disease. Volume 5
Shopping Cart more
0 items
Shipping & Returns
Privacy Notice
Conditions of Use
Contact Us
01.Inorganic Biochemistry: Research Progress
02.Electroanalytical Chemistry Research Developments
03.Biomass Gasification: Chemistry, Processes and Applications
04.New Trends and Potentialities of ToF-SIMS in Surface Studies
05.Advances in Adsorption Technology
06.Nitrogen Fixation Research Progress
07.Activated Carbon: Classifications, Properties and Applications
08.Biochemical Engineering
09.Clinical Chemistry Research
10.Biochemistry and Chemistry: Research and Development
Notifications more
NotificationsNotify me of updates to Chemical Information and Computational Challenges in the 21st Century
Tell A Friend
Tell someone you know about this product.
Chemical Information and Computational Challenges in the 21st Century
Retail Price: $145.00
10% Online Discount
You Pay:

Editors: Mihai V. Putz (West University of Timisoara, Romania)
Book Description:
While many fields of our current life and technology make use of the involvement of chemistry, even in a subtle way as quantum-, mathematical-, physical-, nano-, bio-, or eco-, and chemical disciplines, the chemistry itself drives almost all nature cycles through the atomic and molecular structure and reactivity universal principles. This new book presents an interdisciplinary-internationally picture of chemical information embedded in various micro- and macro- systems in order to show how fertile the field of research and knowledge is thanks to chemistry. (Imprint: Nova Press)

Table of Contents:
Foreword: The Dawns Of Xxi Century in Chemistry
(Mihai V. Putz, Chemistry Department, West University of Timisoara, Pestalozzi, Romania)

Chapter 1. Conceptual Density Functional Theory: From Inhomogeneous Electronic Gas to Bose-Einstein Condensates;pp. 1-60
(Mihai V. Putz,West University of Timisoara, Romania and others)

Chapter 2. Information Tools For Probing Chemical Bonds;pp. 61-100
(Roman F. Nalewajski, Dept. of Theoretical Chemistry, Jagiellonian Univ.,Cracow, Poland)

Chapter 3. Structural Classification of Complex Molecules by Information Entropy and Equipartition Conjecture;pp. 101-139
(Francisco Torrens and Gloria Castellano, Institut Universitari de Ciencia Molecular, Universitat de Valencia, Edifici dInstituts de Paterna, Valencia, Spain and others)

Chapter 4. Computation of Quantum Mechanical Hybridization and Dipole Correlation of Electronic Structures of Molecules in Terms of the Localized Molecular Orbitals;pp. 141-151
(Dulal C. Ghosh, Department of Chemistry, University of Kalyani, India)

Chapter 5. Assumptions of Quantum Chemistry;pp. 153-180
(Jan C. A. Boeyens and C.J.H. Schutte, University of Pretoria, Faculty of Natural and Agricultural Sciences, School of Physical Sciences, Department of Chemistry, Pretoria South Africa)

Chapter 6. Two-Level Dipolar System in a Thermal Bath Interacting with a Dinamic Perturbation;pp. 181-195
(Jose Luis Paz, A. Mastrodoménico and A. Mendoza-Garcia, Departamento de Química, Universidad, Venezuela)

Chapter 7. Data Location in a Four-Dimensional Periodic System of Diatomic Molecules;pp. 197-212
(Gary W. Burdick, Andrews University,Berrien Springs,Michigan,USA and Ray Hefferlin, Southern Adventist University, Collegedale, Tennessee, USA)

Chapter 8. United Atom Model Approach for the Description of Intermolecular Potential Energy in Computational Chemistry;pp. 213-222
(Teik-Cheng Lim, Rajendra Acharya, School of Science and Technology, SIM University (UniSIM) Singapore and others)

Chapter 9. Stereoisograms: A Remedy Against Oversimplified Dichotomy between Enantiomers and Diastereomers in Stereochemistry;pp. 223-242
(Shinsaku Fujita, Shonan Institute of Chemoinformatics and Mathematical Chemistry, Japan)

Chapter 10. Orthogonal Regression Methods in Chemical Modeling;pp. 243-259
(Emili Besalu, Jesus V. de Julian-Ortiz, Lionello Pogliani, Institute of Computational Chemistry, Universitat de Girona, Facultat de Ciencies, Av. Montilivi s/n, 17071 Girona, Spain and others)

Chapter 11. Zagreb Indices;pp. 261-275
(B. Lucic, S. Nikolic, N. Trinajstic, The Rugjer Boskovic Institute, Croatia)

Chapter 12. Towards Accurate Virtual Screening Technologies: Sampling of Chemical Space and Applicability Domain Estimation;pp. 277-297
(Alan Talevi, Eduardo A. Castro, Luis Bruno Blanch, Research Institute of Theoretical and Applied Physical Chemistry (INIFTA), Theoretical Chemistry Division, Faculty of Exact Sciences, Chemistry Department, La Plata National University, Buenos Aires, Argentina and others)

Chapter 13. How Well is Conformational Space Covered?;pp. 299-313
(Lydia Benkaidali, Kamel Mansouri, Pierre Tuffery, François Andre and
Michel Petitjean, CEA/DSV/iBiTec-S/SB2SM (CNRS URA 2096)
Saclay,France and others)

Chapter 14. Porphyrins at the Interface with Nanomaterials;pp. 315-348
(Eugenia Fagadar – Cosma, Romanian Academy, Timisoara Institute of Chemistry, Timisoara, Romania)


      Chemistry Research and Applications
      Chemical Engineering Methods and Technology
   Binding: Hardcover
   Pub. Date: 2012
   Pages: 7 x 10 (NBC - C) 357pp.
   ISBN: 978-1-61209-712-1
   Status: AV
Status Code Description
AN Announcing
FM Formatting
PP Page Proofs
FP Final Production
EP Editorial Production
PR At Prepress
AP At Press
AV Available
Special Focus Titles
01.Essays on the Philosophical Nexus between Religion and Politics. Volume 2
02.Glaciology for Glacial Geologists
03.Tropical Fruits: From Cultivation to Consumption and Health Benefits, Fruits from the Amazon
04.The Copper Garden: New Zealand Novels
05.Informed Parents, Healthy Kids: Information You Need to Know to Find the Right Mental Health Practitioner
06.An Echo of Silence: A Comprehensive Research Study on Early Child Marriage (ECM) in Iran
07.Panic Disorder: Assessment, Management and Research Insights
08.Multiple Sclerosis in Children and Adolescents
09.Parkinson’s Disease: Awareness among Young Adults
10.Cancer and Exercise
11.Psychobiological, Clinical, and Educational Aspects of Giftedness
12.Why 40%-80% of Chronic Pain Patients Are Misdiagnosed and How to Correct That

Nova Science Publishers
© Copyright 2004 - 2018

Chemical Information and Computational Challenges in the 21st Century