Book
Hotta, S. (2018)

This book introduces basic concepts of mathematical physics to chemists. Many textbooks and monographs of mathematical physics may appear daunting to them. Unlike other, related …

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Book
Yasui, K. (2018)

This brief explains in detail fundamental concepts in acoustic cavitation and bubble dynamics, and describes derivations of the fundamental equations of bubble dynamics in order …

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Softcover
eBook

Book
Putz, M. V., Cimpoesu, F., Ferbinteanu, M. (2018)

This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the …

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Hardcover
eBook

Textbook
Laganà, A. (Ed), Parker, G. (Ed) (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 …

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Book
Diudea, M. V. (2018)

This volume presents new methodologies and rationalizes existing methods that are used in the design of multi-shell polyhedral clusters. The author describes how the methods used …

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Hardcover
eBook

Book
Onishi, T. (2018)

This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including …

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eBook
Hardcover

Book
Shukla, M. (Ed), Boddu, V. M. (Ed), Steevens, J. A. (Ed), Reddy, D. (Ed), Leszczynski, J. (Ed) (2017)

This book offers a comprehensive account of energetic materials, including their synthesis, computational modeling, applications, associated degradation mechanisms, environmental …

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Book
Gatti, F., Lasorne, B., Meyer, H., Nauts, A. (2017)

This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum …

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Hardcover

Book
Cheng, G. (2017)

This thesis presents detailed mechanistic studies on a series of important C-H activation reactions using combined computational methods and mass spectrometry experiments. It also …

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Book
Tadjer, A. (Ed), Pavlov, R. (Ed), Maruani, J. (Ed), Brändas, E. J. (Ed), Delgado-Barrio, G. (Ed) (2017)

This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology. In particular, it discusses …

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Book
Roy, K. (Ed) (2017)

The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international …

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Book
Tachibana, A. (2017)

This book presents new aspects of quantum electrodynamics (QED), a quantum theory of photons with electrons, from basic physics to physical chemistry with mathematical rigor. …

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eBook

Book
Nguyen, M. T. (Ed), Kiran, B. (Ed) (2017)

The field of atomic clusters continues to attract great interest amongst physicists and chemists alike. This is in part due to their intrinsic properties and potential industrial …

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Book
Leszczynski, J. (Ed), Kaczmarek-Kedziera, A. (Ed), Puzyn, T. (Ed), G. Papadopoulos, M. (Ed), Reis, H. (Ed), K. Shukla, M. (Ed) (2017)

The first part briefly describes different methods used in computational chemistry without going into exhaustive details of theory. Basic assumptions common to the majority of …

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Book with Online Access
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eReference

Book
Thomas, M. (2017)

This thesis provides a comprehensive description of methods used to compute the vibrational spectra of liquid systems by molecular dynamics simulations. The author systematically …

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Hardcover

Book
Aoki, Y., Orimoto, Y., Imamura, A. (2017)

This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary …

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eBook

Book
Burgot, J. (2017)

This book provides deep insight into the physical quantity known as chemical activity. The author probes deep into classical thermodynamics in Part I, and then into statistical …

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eBook

Book
Cherepanov, V. N., Kalugina, Y. N., Buldakov, M. A. (2017)

This brief explains the theory of the interaction-induced electrical properties of van der Waals complexes. It focuses on the interaction-induced electrical dipole moments, …

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Softcover
eBook

Book
Liu, W. (Ed) (2017)

This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can …

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eReference
Book with Online Access
Hardcover

Book
Ho, T. A. (2017)

This thesis demonstrates how molecular modeling techniques can be used to gain significant insights into numerous applications that are increasingly attracting research interest …

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eBook