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Theoretical & Computational Chemistry | Book | English

This selection contains titles in Theoretical & Computational Chemistry

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Topics

  1. Analysis 428
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  3. Algebra 230
  4. Applications of Mathematics 192
  5. Quantum Physics 189
  1. Artificial Intelligence 188
  2. Statistical Theory and Methods 176
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Showing 75 results.

Within Book Textbook English

Elements of Nonequilibrium Statistical Mechanics Textbook

Elements of Nonequilibrium Statistical Mechanics

Balakrishnan, V. (2021)

This book deals with the basic principles and techniques of nonequilibrium statistical mechanics. The importance of this subject is growing rapidly in view of the advances being …

Available Formats: Hardcover eBook

Lectures in Classical Thermodynamics with an Introduction to Statistical Mechanics Textbook

Lectures in Classical Thermodynamics with an Introduction to Statistical Mechanics

Blankschtein, D. (2020)

This textbook facilitates students’ ability to apply fundamental principles and concepts in classical thermodynamics to solve challenging problems relevant to industry and …

Available Formats: Hardcover eBook

Methods in Statistical Mechanics Textbook

Methods in Statistical Mechanics

Civitarese, O., Gadella, M. (2020)

This book presents a variety of techniques for tackling phenomena that are not amenable to the conventional approach based on the concept of probabilities. The methods described …

Available Formats: Softcover eBook Softcover

Reaction Kinetics: Exercises, Programs and Theorems Textbook

Reaction Kinetics: Exercises, Programs and Theorems

Tóth, J., Nagy, A. L., Papp, D. (2018)

Fifty years ago, a new approach to reaction kinetics began to emerge: one based on mathematical models of reaction kinetics, or formal reaction kinetics. Since then, there has …

Available Formats: Hardcover eBook Softcover

Chemical Reactions Textbook

Chemical Reactions

Laganà, A., A. Parker, G. (2018)

This graduate textbook, written by experienced lecturers, features the study and computation of efficient reactive processes. The text begins with the problem of determining the …

Available Formats: Hardcover eBook Softcover

Photochemistry Textbook

Photochemistry

Persico, M., Granucci, G. (2018)

This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical …

Available Formats: Softcover Hardcover eBook

Computational Methods in Physics Textbook

Computational Methods in Physics

Širca, S., Horvat, M. (2018)

This book is intended to help advanced undergraduate, graduate, and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of …

Available Formats: Hardcover eBook Softcover

Computational Chemistry Textbook

Computational Chemistry

Lewars, E. G. (2016)

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 …

Available Formats: Hardcover eBook Softcover

Magnetic Interactions in Molecules and Solids Textbook

Magnetic Interactions in Molecules and Solids

de Graaf, C., Broer, R. (2016)

This textbook is the second volume in the Theoretical Chemistry and Computational Modeling series and aims to explain the theoretical basis of magnetic interactions at a level …

Available Formats: Hardcover eBook Softcover

Stochastic Dynamics and Irreversibility Textbook

Stochastic Dynamics and Irreversibility

Tomé, T., de Oliveira, M. J. (2015)

This textbook presents an exposition of stochastic dynamics and irreversibility. It comprises the principles of probability theory and the stochastic dynamics in continuous …

Available Formats: Softcover Hardcover eBook

Statistical Mechanics for Engineers Textbook

Statistical Mechanics for Engineers

Kusaka, I. (2015)

This book provides a gentle introduction to equilibrium statistical mechanics. The particular aim is to fill the needs of readers who wish to learn the subject without a solid …

Available Formats: Hardcover eBook

Practical Chemoinformatics Textbook

Practical Chemoinformatics

Karthikeyan, M., Vyas, R. (2014)

Chemoinformatics is equipped to impact our life in a big way mainly in the fields of chemical, medical and material sciences. This book is a product of several years of experience …

Available Formats: Hardcover eBook Softcover

Introduction to Mathematica® for Physicists Textbook

Introduction to Mathematica® for Physicists

Grozin, A. (2014)

The basics of computer algebra and the language of Mathematica are described in this textbook, leading towards an understanding of Mathematica that allows the reader to solve …

Available Formats: eBook Softcover Hardcover

Group Theory Applied to Chemistry Textbook

Group Theory Applied to Chemistry

Ceulemans, A. J. (2013)

Chemists are used to the operational definition of symmetry, which crystallographers introduced long before the advent of quantum mechanics. The ball-and-stick models of molecules …

Available Formats: Hardcover Softcover eBook

Principles of Soft-Matter Dynamics Textbook

Principles of Soft-Matter Dynamics

Kimmich, R. (2012)

Practical applications of soft-matter dynamics are of vital importance in material science, chemical engineering, biophysics and biotechnology, food processing, plastic industry, …

Available Formats: Softcover Hardcover eBook

Computational Chemistry Textbook

Computational Chemistry

Lewars, E. G. (2011)

This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. …

Available Formats: Softcover eBook

Computational Methods in Chemical Engineering with Maple Textbook

Computational Methods in Chemical Engineering with Maple

White, R. E., Subramanian, V. R. (2010)

This book presents Maple solutions to a wide range of problems relevant to chemical engineers and others. Many of these solutions use Maple’s symbolic capability to help bridge …

Available Formats: Book with w. online files/update eBook Softcover

Symmetry Theory in Molecular Physics with Mathematica Textbook

Symmetry Theory in Molecular Physics with Mathematica

McClain, W. (2008)

After a few initial chapters on the basics of Mathematica, the logic of the book is controlled by group theory. It continues to teach Mathematica by example as the need arises, so …

Available Formats: Book with CD-ROM Softcover eBook

Advanced Quantum Mechanics Textbook

Advanced Quantum Mechanics

Schwabl, F. (2008)

Advanced Quantum Mechanics, the second volume on quantum mechanics by Franz Schwabl, discusses nonrelativistic multi-particle systems, relativistic wave equations and relativistic …

Available Formats: Softcover Hardcover eBook

Chemistry from First Principles Textbook

Chemistry from First Principles

Boeyens, J. C. A. (2008)

"Chemistry from First Principles" examines the appearance of matter in its most primitive form. It features the empirical rules of chemical affinity that regulate the synthesis …

Available Formats: Softcover Hardcover eBook

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