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Practical Aspects of Computational Chemistry II

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Table of Contents

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    Book Overview
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    Chapter 1 On Two Recent Developments in the Description of Molecular Properties in Solution by Using the Polarizable Continuum Model (PCM): The Coupled-Cluster Theory and the Molecules at Extreme Pressures
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    Chapter 2 The Distribution of Internal Distances for Ionic Pairs in Solvents of Various Polarity
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    Chapter 3 Digraphs in Chemistry: All Possible Structures and Temperature-Dependent Distribution of Water Clusters
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    Chapter 4 Generalized-Ensemble Algorithms for Simulations of Complex Molecular Systems
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    Chapter 5 Atomistic Mechanism of Carbon Nanostructure Self-Assembly as Predicted by Nonequilibrium QM/MD Simulations
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    Chapter 6 Modeling of Chemical Reactivity of Carbon Nanotubes: A Review
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    Chapter 7 Advancing Understanding and Design of Functional Materials Through Theoretical and Computational Chemical Physics
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    Chapter 8 New Advances in QSPR/QSAR Analysis of Nitrocompounds: Solubility, Lipophilicity, and Toxicity
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    Chapter 9 Progress in Predictions of Environmentally Important Physicochemical Properties of Energetic Materials: Applications of Quantum-Chemical Calculations
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    Chapter 10 State-of-the-Art Calculations of the 3d Transition-Metal Dimers: Mn 2 and Sc 2
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    Chapter 11 Theoretical Study of σ-Bond Activation Reactions and Catalytic Reactions by Transition Metal Complexes
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    Chapter 12 Application of Quantum-Chemical Techniques to Model Environmental Mercury Depletion Reactions
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    Chapter 13 Computational Perspectives on Organolithium Carbenoids
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    Chapter 14 Potential Path of DNA Damage: Electron Attachment–Induced DNA Single-Strand Breaks
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53 Mendeley
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Title
Practical Aspects of Computational Chemistry II
Published by
Springer Netherlands, July 2012
DOI 10.1007/978-94-007-0923-2
ISBNs
978-9-40-070922-5, 978-9-40-070923-2
Editors

Leszczynski, Jerzy, Shukla, Manoj K.

Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 53 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Argentina 1 2%
Brazil 1 2%
Unknown 51 96%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 16 30%
Researcher 8 15%
Student > Master 8 15%
Student > Postgraduate 5 9%
Professor 4 8%
Other 7 13%
Unknown 5 9%
Readers by discipline Count As %
Chemistry 27 51%
Physics and Astronomy 8 15%
Materials Science 6 11%
Engineering 4 8%
Pharmacology, Toxicology and Pharmaceutical Science 2 4%
Other 1 2%
Unknown 5 9%