Nova Publishers
My Account Nova Publishers Shopping Cart
HomeBooksSeriesJournalsReference CollectionseBooksInformationSalesImprintsFor Authors
  Top » Catalog » Books » My Account  |  Cart Contents  |  Checkout   
Quick Find
Use keywords to find the product you are looking for.
Advanced Search
What's New? more
Doxycycline: Medical Uses and Effects
Shopping Cart more
0 items
Shipping & Returns
Privacy Notice
Conditions of Use
Contact Us
Notifications more
NotificationsNotify me of updates to Advances in Chemical Modeling
Tell A Friend
Tell someone you know about this product.
Advances in Chemical Modeling
Retail Price: $330.00
10% Online Discount
You Pay:

Editors: Mihai V. Putz (West University of Timisoara, Timisoara, Romania)
Book Description:
This new book brings together the theoretical, mathematical, quantum and computational methodologies of approaching structural, bonding and reactivity characterizations of the chemical systems. (Imprint: Nova Press)

Table of Contents:
Preface pp. i-xiii

Levels of a Unified Theory of Chemical Interaction;pp. 1-7
(Mihai V. Putz, West University of Timisoara, Romania)

Chemical Reactivity and Electromagnetic Field;pp. 9-14
(Mihai V. Putz, West University of Timisoara, Romania)

Single-Electron State Filling Order across the Elements;pp. 15-45
(Cynthia Kolb Whitney, Editor, Galilean Electrodynamics, Massachusetts, USA)

Visualizing Electron Populations in Atoms;pp. 47-100
(Cynthia Kolb Whitney, Editor Galilean Electrodynamics, Massachusetts, USA)

Exploring the Comparative Efficacy of Localization Algorithm of Sinanoğlu in Computing Bonding and Hybridization in Electron Deficient Molecules;pp. 101-115
(Dulal C. Ghosh and Arindam Chakraborty;pp. University of Kalyani, India)

Molecular and Electronic Structure of 4,4'-diaminodiphenylmethane: Vibrational, NMR and DFT Study;pp. 117-130
(V. Chiş, M. M. Venter, C. Lehene, M. Vasilescu, N. Leopold, Bades-Bolyai Univesity, Cluj-Napoca, Romania)

Acidities of the metal aqua ions. A DFT study;pp. 131-137
(Michael G. B. Drew, Samik Nag, Dipankar Datta, School of Chemistry, The University, Whiteknights, Reading, UK and others)

Biphenyls, Bond Paths and Repulsions: Do the Ortho and Ortho’ Substituents in Biphenyls Repel or Attract (Bind to) Each Other?;pp. 139-153
(Jordi Poater, J. J. Dannenberg, Miquel Solŕ, F. Matthias Bickelhaupt, Dept. of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, Amsterdam, The Netherlands and others)

Effect of the dynamics of solvent molecules on the entropy change in the formation of calix[6]arene – phenol host-guest complexes. An account on their physico-chemical features;pp. 155-169
(Sándor Kunsági-Máté, László Kollár, University of Pecs, Hungary)

Molecular dynamics simulations of liquid and ionic solvation of carbon tetrachloride: Based on atom-bond electronegativity equalization method fused into molecular mechanics (ABEEM/MM);pp. 171-182, Liaoning University, Dalian, P.R.China)

Structural Diversities of Three-Membered Silicon and Carbon Rings;pp. 183-192
B. Pinter, T. Veszpremi, Budapest University of Technology and Economics, Hungary)

Analysis of The Reversible AB Reaction-Diffusion Process Using Boundary Layer Functions;pp. 193-201
(M. Sinder, V. Sokolovsky and J. Pelleg, Ben-Gurion University of the Negev, Beer Sheva, Israel and others)

Mapping out pq=qp Redundancies in nn Data Arrays;pp. 203-207
(R. A. Hefferlin, Southern Adventist University, Collegedale, Tennessee)

Graph-theoretical study of inorganic and organic halides;pp. 209-227
(Lionello Pogliani, Universita della Calabria, Italy)

Harary Index of Landscape Graphs;pp. 229-237
(Bo Zhou, Zhibin Du, Nenad Trinajstić, South China Normal University, China and others)

Estrada Index Of Bipartite Graphs;pp. 239-246
(Bo Zhou and Nenad Trinajstić, South China Normal University, Guangzhou, China and others)

Estimation of Stability Constants by Graph-Theoretical Models. Binding of Amino Acids to Copper(II) and Nickel(II) Complexes of Iminodiacetates and Pyridyl Derivatives of Aspartic Acid;pp. 247-255
(Ante Miličević and Nenad Raos, Institute for Medical Research and Occupational Health, Zagreb, Croatia)

Group Theory for Tetramethylsilane, Application in Combinatorial Isomer Enumeration;pp. 257-265
(M.R. Darafsheh , A. Moghani, M. Karami, A. Zaeembashi, and S. Naghdi, School of Mathematics, College of Science, University of Tehran, Iran and others)

Topological Descriptors for Predicting Affinity of Xanthine Derivates to A2B Adenosine Receptors;pp. 267-280
(Marta Teijeira, Maykel Pérez González, Liane Saíz-Urra, Carmen Terán, Virginia Rivero, and Juan Manuel López-Romero, Dept. of Organic Chemistry, Vigo University, Spain and others)

Topological Study of an Infinite Class of Nanostar Dendrimer;pp. 281-286
(Ali Reza Ashrafi, and Mahsa Mirzargar, Institute of Nanoscience and Nanotechnology, University of Kashan, Iran)

Computing Distance Matrix and Related Topological Indices of an Achiral Polyhex Nanotorus;pp. 287-293
(S. Yousefi, H. Yousefi-Azari, M. H. Khalifeh and A. R. Ashraf, University of Kashan, Iran and others)

Topological Indices of Nanotubes and Nanotori Covered by C4;pp. 295-298
(M. Faghani and A. R. Ashrafi Dept. of Mathematics, Payame-Noor Univesity, Tehran, Iran)

Shape Analysis of Polyhex Carbon Nanotubes and Nanotori;pp. 299-306
(Ante Graovac, István László, Tomaž Pisanski, and Dejan Plavšić, Dept. of Chemistry, Faculty of Science, University of Split, Croatia and others)

A Taxonomy and Parametric Representation of Caped Single Wall Carbon Nanotubes;pp. 307-315
(Hosein Sabaghian-Bidgoli, Gholamreza Vakili-Nezhaad, and Mahmood Fathy,University of Kashan, Iran and others)

Order and Fractality In Thin Film Deposition. Computer Simulation;pp. 317-331
(M. Popescu, F. Sava, National Institute of Materials Physics, Bucharest-Magurele, Romania)

C60 Structural Relatives-A Topological Study;pp. 333-351
(Mircea V. Diudea, Babes-Bolyai University, Cluj, Romania)

Counting the Number of Some Hetero Fullerenes;pp. 353-360
(Ahmad Gholami and Ali Reza Ashrafi, University of Kashan, Iran)

Fullerene aromaticity by circulene-flower coverings;pp. 361-367
(Aniela E. Vizitiu, Mircea V. Diudea, Titus A. Beu, Attila Bende, Babes-Bolyai University, Cluj, Romania and others

Application of Parametric L-Systems to Generate the Figures of Two Series of Spherical Fullerenes;pp. 369-376
(Mehdi Vahidipour and Gholamreza Vakili-Nezhaad,University of Kashan, Iran and others)

On the Left Handed Helices in Protein;pp. 377-390
(Kiran B. Chilakamarri and Oscar H. Criner, Texas Southern University, Houston, TX, USA)

Novel Graphical Representation of Proteins Based on the Virtual Genetic Code;pp. 391-410
(Milan Randic, Marjan Vracko, Dejan Plavsic, National Institute of Chemistry, Ljubljhana Slovenia and others)

Methodologies QSAR/QSPR/QSTR: Current State and Perspectives;pp. 411-433
(Fabiana Paola Maguna, María Beatriz Nuńez, Nora Beatriz Okulik, Eduardo Alberto Castro, Universidad Nacional del Nordeste, Chaco, Argentina and others)

Turning SPECTRAL-SAR into 3D-QSAR analysis. Application on H+K+-ATPase inhibitory activity;pp. 435-451
(Mihai V. Putz, Corina Duda-Seiman, Daniel M. Duda-Seiman,
Ana-Maria Putz, West University of Timisoara, Romania and others)

Index pp.453-467

      Chemistry Research and Applications
   Binding: Hardcover
   Pub. Date: 2011
   Pages: 480
   ISBN: 978-1-61209-028-3
   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
Customers who bought this product also purchased
Advances in Adsorption Technology
Advances in Adsorption Technology
Activated Carbon: Classifications, Properties and Applications
Activated Carbon: Classifications, Properties and Applications
Special Focus Titles
01.Violent Communication and Bullying in Early Childhood Education
02.Cultural Considerations in Intervention with Women and Children Exposed to Intimate Partner Violence
03.Chronic Disease and Disability: The Pediatric Lung
04.Fruit and Vegetable Consumption and Health: New Research
05.Fire and the Sword: Understanding the Impact and Challenge of Organized Islamism. Volume 2

Nova Science Publishers
© Copyright 2004 - 2021

Advances in Chemical Modeling