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Advances in Chemical Modeling. Volume 2
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Editors: Mihai V. Putz (West University of Timisoara, Timisoara, Romania)
Book Description:
This new book presents and discusses current research in the study of chemical modeling. Topics discussed include chemical action and the transition state reactivity; algebraic chemistry of catalysis; solid-state polymerization kinetics; fractal features of proteins structure and dynamics; modeling on methanol clusters; chemical hardness assessment of aromaticity for certain organic compounds; dependence of thermodynamic characteristics on spatial-energy parameter or free atoms and the scattering of particles and waves on nucleon nodes of the atom. (Imprint: Nova Press)

Table of Contents:
Preface
From the International Year of Chemistry to the Century of Chemistry
(Mihai V. Putz,Chemistry Dept.,West University of Timisoara,Romania)

Zero and Vacuum: Parallel Stories of Two Parallel Concepts;pp. 1-26
(Lionello Pogliani,Universita della Calabria,Italy)

Chemical Action and the Transition State Reactivity;pp. 27-33
(Mihai V. Putz,West University of Timisoara,Romania)

On The Algebraic Chemistry of Catalysis;pp. 35-69
(Cynthia Kolb Whitney,Galilean Electrodynamics,Massachusetts,USA)

Modeling of The Solid-State Polymerization Kinetics;pp. 71-83
(A.M. Kaplan and N.I. Chekunaev,Semenov Institute of Chemical Physics,Russian Academy of Sciences,Moscow,Russian Federation)

The Scattering of Particles and Waves on Nucleon Nodes of the Atom;pp. 85-96
(George P. Shpenkov,FIRMUS S.A.R.L.,Monaco)

Compressibility of -Ca3N2 to 137 Kb Using Synchrotron Radiation and a Diamond Anvil Cell;pp. 97-104
(Michael J. Bucknum, Pablo R. Duchowicz, and Eduardo A. Castro,Cornell University,Ithaca,NY and others)

Dependence of Thermodynamic Characteristics Upon Spatial-Energy Parameter of Free Atoms;pp. 105-123
(G.А. Kоrablev and G.Е. Zaikov,Izhevsk State Agricultural Academy,Russia and others)

On Chemical Hardness Assessment of Aromaticity for Some Organic Compounds;pp. 125-136
(Mihai V. Putz, Ana Maria Putz, Laura Pitulice, and Vlad Chiriac,Chemistry Dept.,West University of Timisoara,Romania and others)

A Quantum Mechanical Calculation of The Reactivity Descriptors of Ammonia (NH3) Molecule During The Physical Process of Its Umbrella (C3v –D3h) Inversion and Identification of The Preferred Conformation of Reaction in The Gas Phase;pp. 137-148
(Dulal C. Ghosh and Sandip Kumar Rajak,Dept. of Chemistry,University of Kalyani,India)

Computation of Some Descriptors of The Real World in Terms of A New Scale of Electronegativity. Part 1. The Dipole Moments of Some Heteronuclear Diatomic Molecules;pp. 149-162
(Dulal C. Ghosh, Nazmul Islam, and Sandip Kumar Rajak,Dept. of Chemistry,University of Kalyani,India)

Computation of Some Descriptors of The Real World in Terms of A New Scale of Electronegativity. Part 2. Evaluation of Equilibrium Internuclear Bond Distances of Some Heteronuclear Diatomics;pp. 163-169
(Dulal C. Ghosh, Nazmul Islam, and Sandip Kumar Rajak,Dept.of Chemistry,University of Kalyani,India)

Density Functional Study on The Stability And Reactivity of Pt(100) and Pt(111) Surfaces Modified by Ni Atoms;pp. 171-184
(M. B. Lopez and E. A. Castro,Universidad Nacional de Catramarca,Catamarca,Argentina and others)

Modeling on Methanol Clusters in Terms of Ab Initio and ABEEM/MM Methods;pp. 185-210
(Cui Liu, Dong-Xia Zhao, and Zhong-Zhi Yang,Liaoning Normal University,Dalian,Liaoning Province,China)

Twisted Phenanthrene and Other Molecular Victims of Steric Repulsion;pp. 211-228
(Jordi Poater, Miquel Sola, and F. Matthias Bickelhaupt,Dept. of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling,Scheikundig Laboratorium der Vrije Universiteit,Amsterdam,The Netherlands and others)

Molecular Modeling and Spectroscopic Properties of A Sesquiterpene Lactone, 1-Hydroxy-4-Oxo-11H-4-Noreudesman-6,12-Olide;pp. 229-243
(Jose R. Molina, Mariela Finetti, Oscar J. Diaz, Juana R. de la Fuente, and Alicia H. Jubert,Universidad Nacional de Salta,Buenos Aires,Argentina and others)

Experimental and Theoretical Standard Enthalpies of Formation of 3,6-Dibutanal-1,2,4,5-Tetroxane;pp. 245-249
(Daniela A. Ayala, Mariela I. Profeta, Jorge M. Romero, Nelly L. Jorge, Vara Gomez, E. Manuel, Eduardo A. Castro, and Alicia H. Jubert,Campus Universitario,Corrientes,Argentina and others)

SMILES-Based QSPR Models of Ionic Lattice Energies;pp. 251-261
(Eduardo. A. Castro, Alla P. Toropova, Andrey A. Toropov, and Runet Z. Akhmerov,Chemistry Dept.,La Plata National University,Buenos Aires,Argentina and others)

Spectral-SAR Ecotoxicology of Ionic Liquids-Acetylcholine Interaction on E. Electricus Species;pp. 263-274
(Mihai V. Putz, Ana-Maria Putz, Vasile Ostafe, and Adrian Chiriac,Chemistry Dept.,West University of Timisoara,Romania and others)

Fractal Features of Proteins Structure and Dynamics. Part I-Structure;pp. 275-289
(Dana Craciun, Laura Pitulice, and Adriana Isvoran,University of the West Timisoara,Romania)

Fractal Features of Proteins Structure and Dynamics. Part II-Dynamics;pp. 291-307
(Dana Craciun, Laura Pitulice, and Adriana Isvoran,Teacher Training Dept.,University of the West Timisoara,Romania and others)

Models for the Prediction of A3 Adenosine Receptor Binding Affinity of 2-Chloro-N6-substituted-4´-thioadenosine-5´-uronamides;pp. 309-325
(Rakesh K. Goyal, Harish Dureja, G. Singh, and A. K. Madan,Faculty of Pharmacy,University of Health Sciences,Rohtak,India and others)

Separation of The Electronic and the Steric Effects on the Cu(II/I) Potentials in Cu(I)(N-X)2 Complexes where X = N or O;pp. 327-333
(Senjuti De and Dipankar Datta,Dept. of Inorganic Chemistry,Indian Association for the Cultivation of Science,Calcutta)

Bonding in Biologically-Relevant High-Valent Iron Centers;pp. 335-351
(Radu Silaghi-Dumitrescu,Dept. of Chemistry,"Babes-Bolyai University,Romania)

A Model of The Oral Glucose Tolerance Test That Defines The Gastric Emptying Process;pp. 353-370
(Horace Martin, Richard Goldstein, Joanne Hologgitas, and Marc Weinberg,Brown University School of Medicine,Providence,R.I. and others)

Modeling of The Polyurethane Structure for A Better Antibiotics’ Adsorption;pp. 371-377
(Florin Borcan, Nicoleta Filimon, and Constantin Bolcu,West University of Timisoara,Romania)

Omega Polynomial: Composition Rules in CorSu Lattice;pp. 379-384
(Mircea V. Diudea,"Babes-Bolyai" University,Romania)

Omega Polynomial in C84-unit Nano-Dendrimers1;pp. 385-393
(Mircea V. Diudea,Faculty of Chemistry and Chemical Engineering,"Babes-Bolyai" University,Romania)

Wiener Index of 1-Pentagon Fullerenic Infinite Lattice;pp. 395-409
(Franco Cataldo, Ottorino Ori, and Ante Graovac,Actinium Chemical Research,Rome,Italy)

Distance in Trees and Laplacian Matrix;pp. 411-417
(Ivan Gutman and Wenjun Xiao,Faculty of Science,University of Kragujevac,Serbia)

On A Class of Integrals Encountered in Theoretical Chemistry;pp. 419-425
(Ivan Gutman,Faculty of Science,University of Kragujevac,Serbia)

Molecular Matrix Based on Chemical Structure and Atomic Number;pp. 427-440
(Teik-Cheng Lim,School of Science and Technology,SIM University,Republic of Singapore)

A Note on Wiener- and Kirchhoff-Sum Indices;pp. 441-451
(Rundan Xing, Bo Zhou and Damir Vukicevic,Dept. of Mathematics,South China Normal University,Ghangzhou,P.R.China)

Index

   Series:
      Chemistry Research and Applications
   Binding: Hardcover
   Pub. Date: 2011 3rd Quarter
   Pages: 7 x 10 (NBC - M) 468pp.
   ISBN: 978-1-61209-669-8
   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
  
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Advances in Chemical Modeling. Volume 2