Quantum and theoretical chemistry

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding.

Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies.

This book summarizes the state of the art in the theoretical modeling of inorganic nanostructures.

This book addresses the construction and application of the major types of basis sets for computational chemistry calculations.

This book presents a number of studies on the molecular dynamics of cement-based materials.

Durch die konsequente Anwendung der Wellenmechanik, wie sie von Schrödinger begründet wurde, verzichtet dieses Buch auf schwer verständliche Methoden der Quantentheorie wie Wahrscheinlichkeitsrechnung oder komplexe Größen.

This book reports on topics at the interface between manufacturing, mechanical and chemical engineering.

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology.

This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics.

This book provides a broad and nuanced overview of the achievements and legacy of Professor William ("e;Bill"e;) Goddard in the field of computational materials and molecular science.

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology.

This book focuses on theoretical and computational studies by the editor's group on the direct hydroxylation of methane, which is one of the most challenging subjects in catalyst chemistry.

Handbuch der Schattenmagie: Techniken, Rituale und Philosophie der DunkelheitRudolf ThotTauchen Sie ein in die faszinierende Welt der Schattenmagie – ein Reich voller Mysterien, uralter Weisheiten und verborgener Kräfte.

This volume highlights the recent advances and state of art in the experimental and theoretical studies of organometallic magnets.

Hyperspherical harmonics are extremely useful in nuclear physics and reactive scattering theory.

This book introduces basic concepts of mathematical physics to chemists.

This volume of the Encyclopedia of Complexity and Systems Science, Second Edition, is a unique collection of concise overviews of state-of-art, theoretical and experimental findings, prepared by the world leaders in unconventional computing.

This is a comprehensive textbook addressing the unique aspects of drug development for ophthalmic use.

Chemistry shapes and creates the disposition of the world's resources and provides novel substances for the welfare and hazard of our civilisation at an exponential rate.

This monograph is a fundamental reference for scientists and engineers who encounter spin processes in their work.

This book, which is the third volume of Biomedical translational research, focuses on the fundamental role of biomedical research in developing new medicinal products.

This graduate textbook provides comprehensive information on topological analysis in real space of the electronic structure.

This essential volume explores a variety of tools and protocols of structure-based (homology modeling, molecular docking, molecular dynamics, protein-protein interaction network) and ligand-based (pharmacophore mapping, quantitative structure-activity relationships or QSARs) drug design for ranking and prioritization of candidate molecules in search of effective treatment strategy against coronaviruses.

The first part briefly describes different methods used in computational chemistry without going into exhaustive details of theory.

This detailed book collects modern and established computer-based methods aimed at addressing the drug discovery challenge from disparate perspectives by exploiting information on ligand-protein recognition.

This book consists of chapters written by international experts on various aspects of single molecule toroics (SMTs).

This edited volume collects six surveys that present state-of-the-art results on modeling, qualitative analysis, and simulation of active matter, focusing on specific applications in the natural sciences.

This book provides a contemporary treatment of the problems related to anomalous diffusion and anomalous relaxation.

This book focuses on analysing the applications of the Shannon Measure of Information (SMI).

R for Quantitative Chemistry is an exploration of how the R language can be applied to a wide variety of problems in what is typically termed "e;Quantitative Chemistry"e; or sometimes "e;Analytical Chemistry"e;.

This book updates knowledge on recent advances in computational, biophysical and bioinformatics tools/techniques and their practical applications in modern drug design and discovery paradigm.

This book outlines the role of Sufism in Moroccan politics in the twenty-first century through a comparative study of contemporary Sufi organizations.

This book outlines the role of Sufism in Moroccan politics in the twenty-first century through a comparative study of contemporary Sufi organizations.

This book provides a concise overview of recent advances in Pharmacokinetics (PK) and Pharmacodynamics (PD).

Julia und die Stille Revolution des Bewusstseins ist ein Roman, den ich nach meiner Pilgerreise durch Südfrankreich im September 2018 angefangen habe zu schreiben.

This book provides a concise overview of recent advances in Pharmacokinetics (PK) and Pharmacodynamics (PD).

This book proposes a completely unique reaction kinetics theory based on the uncertainty principle of quantum mechanics; the physical viewpoint and mathematical details for the theory construction are explained, and abundant applications of the theory mainly in materials science are described.

Levan Tsereteli nimmt uns mit auf eine faszinierende Reise in das Herz der georgischen Weinkultur.

Es gibt ein Forschungsgebiet, von dem die Mehrzahl der Gebildeten sich mit Widerstreben abwendet.

Er muss zunächst über eine höhere wissenschaftliche Bildung und eine besonders feine Beobachtungsgabe verfügen.

Zorba the Buddha is the first comprehensive study of the life, teachings, and following of the controversial Indian guru known in his youth as Bhagwan Shree Rajneesh and in his later years as Osho (19311990).

This inspiring and entertaining journal relates Doug Boyd's personal odyssey through ancient and traditional cultures from around the world in search of a practical and relevant mysticism.

Discover the Wisdom of the Ascended Masters in the 21st Century Embark on a journey of spiritual discovery with the illustrated and updated edition of Unveiled Mysteries, a timeless work that has inspired generations of spiritual seekers since its first publication in 1934.

Founded in the sixteenth century, the Demirdashiya Sufi order in Cairo has played an influential role in Egypt's public life, and through a line of family sheikhs has channeled the impulses of its Sufi origins into different types of reform.

Advances in Quantum Chemistry, Volume 75 presents work and reviews of current progress in computational quantum mechanics as presented by some of the world's leading experts.

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field.

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances in Quantum Chemistry series presents work and reviews of current work in quantum chemistry (molecules), but also includes scattering from atoms and solid state work of interest in physics.

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology.

Computational Phytochemistry explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, thus refocusing and expanding the possibilities of phytochemical studies.

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