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Practical Aspects of Computational Chemistry

Overview of attention for book
Cover of 'Practical Aspects of Computational Chemistry'

Table of Contents

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    Book Overview
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    Chapter 1 Efficient and Accurate Electron Propagator Methods and Algorithms
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    Chapter 2 Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models
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    Chapter 3 Chirality and Chiral Recognition
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    Chapter 4 Multiscale Modeling: A Review
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    Chapter 5 Challenging the Multiple Minima Problem: Example of Protein Folding
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    Chapter 6 An Overview of σ-Hole Bonding, an Important and Widely-Occurring Noncovalent Interaction
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    Chapter 7 σ-Bond Prevents Short π-Bonds: A Detailed Theoretical Study on the Compounds of Main Group and Transition Metal Complexes
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    Chapter 8 QSAR Models for Regulatory Purposes: Experiences and Perspectives
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    Chapter 9 Quantitative Structure–Activity Relationships (QSARs) in the European REACH System: Could These Approaches be Applied to Nanomaterials?
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    Chapter 10 Structure–Activity Relationships in Nitro-Aromatic Compounds
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    Chapter 11 Molecular Modeling as an Auxiliary Method in Solving Crystal Structures Based on Diffraction Techniques
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    Chapter 12 Dihydrogen Bonds: Novel Feature of Hydrogen Bond Interactions
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    Chapter 13 Catalytic Decomposition of Organophosphorus Compounds
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    Chapter 14 Toward Understanding of Hydrogen Storage in Single-Walled Carbon Nanotubes by Investigations of Chemisorption Mechanism
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    Chapter 15 Quantum Monte Carlo for Electronic Structure
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    Chapter 16 Sequential Monte Carlo and Quantum Mechanics Calculation of the Static Dielectric Constant of Liquid Argon
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    Chapter 17 CO 2 (aq) Parameterization Through Free Energy Perturbation/Monte Carlo Simulations for Use in CO 2 Sequestration
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    Chapter 18 Free Energy Perturbation Monte Carlo Simulations of Salt Influences on Aqueous Freezing Point Depression
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    Chapter 19 The Potential Energy Shape for the Proton Motion in Protonated Naphthalene Proton Sponges (DMAN-s) and its Manifestations
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    Chapter 20 Nucleic Acid Base Complexes: Elucidation of the Physical Origins of Their Stability
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    Chapter 21 Conformational Flexibility of Pyrimidine Ring in Nucleic Acid Bases
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    Chapter 22 DNA Lesions Caused by ROS and RNOS: A Review of Interactions and Reactions Involving Guanine
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    Chapter 23 Stability and Structures of the DNA Base Tetrads: A Role of Metal Ions
Attention for Chapter 4: Multiscale Modeling: A Review
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Citations

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42 Dimensions

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179 Mendeley
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2 CiteULike
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Chapter title
Multiscale Modeling: A Review
Chapter number 4
Book title
Practical Aspects of Computational Chemistry
Published in
ADS, January 2009
DOI 10.1007/978-90-481-2687-3_4
Book ISBNs
978-9-04-812686-6, 978-9-04-812687-3
Authors

M. F. Horstemeyer, Horstemeyer, M. F.

View on publisher site
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 179 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 2 1%
Netherlands 1 <1%
Taiwan 1 <1%
Brazil 1 <1%
Unknown 174 97%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 55 31%
Student > Master 24 13%
Researcher 19 11%
Professor 11 6%
Student > Bachelor 11 6%
Other 26 15%
Unknown 33 18%
Readers by discipline Count As %
Engineering 61 34%
Materials Science 27 15%
Chemistry 10 6%
Computer Science 6 3%
Physics and Astronomy 6 3%
Other 27 15%
Unknown 42 23%

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