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Electronic Structure of Alloys, Surfaces and Clusters

Edición de Abhijit Mookerjee, D.D. Sarma ...

Series series Advances in Condensed Matter Science
Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, sur ... Leer más

$265.99 USD

Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, sur
... Leer más

Essentials of Computational Chemistry

Theories and Models

de Christopher J. Cramer ...

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in ... Leer más

$65.00 USD

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in
... Leer más
Computational Modeling And Simulations Of Biomolecular Systems

de Benoit Roux ...

This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a ... Leer más

$27.99 USD

This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a
... Leer más
Recent Progress In Orbital-free Density Functional Theory

de Yan Alexander Wang, Tomasz A Wesolowski ...

Series Libro 6 - Recent Advances In Computational Chemistry
This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.The book is a compilation of contributions stemming from a series of workshops which had been ... Leer más

$53.99 USD

This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.The book is a compilation of contributions stemming from a series of workshops which had been
... Leer más
Computational Methods for Large Systems

Electronic Structure Approaches for Biotechnology and Nanotechnology

de Jeffrey R. Reimers ...

While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and ... Leer más

$144.00 USD

While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and
... Leer más
Computational Physics

de Jos Thijssen ...

First published in 2007, this second edition describes the computational methods used in theoretical physics. New sections were added to cover finite element methods and lattice Boltzmann simulation, density functional theory, quantum molecular dynamics, Monte Carlo simulation, and diagonalisation of one-dimensional quantum systems. It covers many different areas of physics research and different ... Leer más

$79.99 USD

First published in 2007, this second edition describes the computational methods used in theoretical physics. New sections were added to cover finite element methods and lattice Boltzmann simulation, density functional theory, quantum molecular dynamics, Monte Carlo simulation, and diagonalisation of one-dimensional quantum systems. It covers many different areas of physics research and different
... Leer más
Introduction to Computational Chemistry

de Frank Jensen ...

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:Polarizable force ... Leer más

$83.00 USD

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:Polarizable force
... Leer más
A Matter of Density

Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences

de N. Sukumar ...

The origins and significance of electron density in the chemical, biological, and materials sciencesElectron density is one of the fundamental concepts underlying modern chemistry and one of the key determinants of molecular structure and stability. It is also the basic variable of density functional theory, which has made possible, in recent years, the application of the mathematical theory of ... Leer más

$127.00 USD

The origins and significance of electron density in the chemical, biological, and materials sciencesElectron density is one of the fundamental concepts underlying modern chemistry and one of the key determinants of molecular structure and stability. It is also the basic variable of density functional theory, which has made possible, in recent years, the application of the mathematical theory of
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Computational Chemistry

Introduction to the Theory and Applications of Molecular and Quantum Mechanics

de Errol G. Lewars ...

Series series Chemistry and Material Science (R0)
This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry."Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic ... Leer más

$71.99 USD

This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry."Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic
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Single-Ion Solvation

Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities

de Philippe Hunenberger, Maria Reif, Walter Thiel, Kenneth D Jordan, Carmay Lim, Jonathan Hirst ...

Series Libro 3 - Theoretical and Computational Chemistry Series
Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parameters associated with the solvation of a given ion. However, due to the constraint of electroneutrality, the involvement of surface effects and the ambiguous connection between microscopic and ... Leer más

$182.99 USD

Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parameters associated with the solvation of a given ion. However, due to the constraint of electroneutrality, the involvement of surface effects and the ambiguous connection between microscopic and
... Leer más
Computational Chemistry

Introduction to the Theory and Applications of Molecular and Quantum Mechanics

de Errol G. Lewars ...

Series series Chemistry and Material Science (R0)
This is the third edition of the successful text-reference book that covers computational chemistry. It features changes to the presentation of key concepts and includes revised and new material with several expanded exercises at various levels such as 'harder questions' for those ready to be tested in greater depth - this aspect is absent from other textbooks in the field. Although introductory ... Leer más

$89.99 USD

This is the third edition of the successful text-reference book that covers computational chemistry. It features changes to the presentation of key concepts and includes revised and new material with several expanded exercises at various levels such as 'harder questions' for those ready to be tested in greater depth - this aspect is absent from other textbooks in the field. Although introductory
... Leer más
Reaction Rate Theory and Rare Events

de Baron Peters ...

Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, ... Leer más

$89.99 USD

Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times,
... Leer más

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Advances in Condensed Matter Science

Electronic Structure of Alloys, Surfaces and Clusters

La gente que leyó esto también disfrutó

Essentials of Computational Chemistry

Computational Modeling And Simulations Of Biomolecular Systems

Recent Progress In Orbital-free Density Functional Theory

Computational Methods for Large Systems

Computational Physics

Introduction to Computational Chemistry

A Matter of Density

Computational Chemistry

Single-Ion Solvation

Computational Chemistry

Reaction Rate Theory and Rare Events

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