Quantum and theoretical chemistry

This book presents the state-of-the-art in supercomputer simulation.

Ibn al-'Arabi (d.

The textbook is intended for the undergraduate and postgraduate students of chemistry, biology and medicine.

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.

During the last twenty years, the multiplicity of potential carbon structures has consistently posed a formidable challenge to theoretical and computational physicists.

The Institute for Computer Applications in Science and Engineer- ing (ICASE) and NASA Langley Research Center (LaRC) brought together on October 2-4, 1989 experts in the various areas of com- bustion with a view to expose them to some combustion problems of technological interest to LaRC and possibly foster interaction with the academic community in these research areas.

This book focuses on the construction of redox systems composed of doubly fused para-quinodimethane (p-QD) units and on the elucidation of the unique redox behavior.

This book addresses the nature of the chemical bond in inorganic and coordination compounds.

A unique selection of papers on the most recent progress in the modelling of biological molecules containing metal ions.

Xabier Pikaza retorna por tercera vez el Cántico espiritual de san Juan de la Cruz, a quien considera «una de las personalidades más ricas y complejas del siglo XVI y de la Modernidad».

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Chemometrics in Analytical Spectroscopy provides students and practising analysts with a tutorial guide to the use and application of the more commonly encountered techniques used in processing and interpreting analytical spectroscopic data.

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.

Purification of the soul is a principle that is central to understanding Islamic spirituality but despite this, relatively little has been written explicitly in the Islamic tradition regarding this discrete method of spiritual purification.

Step into the extraordinary life of Dorothy Eady, better known as Om Seti, a woman whose story bridges the divide between history and mysticism.

This book outlines past and new developments in molecular response theory in terms of static and dynamic-induced current densities and showcases an important step forward in the field of molecular density functions and their topological analysis.

The simulation of enzymatic processes is a well-established field within computational chemistry, as demonstrated by the 2013 Nobel Prize in Chemistry.

Das dreibändige Werk bietet eine Einführung in die wichtigsten mathematischen Grundlagen aus den Gebieten der Linearen und Nichtlinearen Algebra, der Analysis und der Diskreten Mathematik für Informatiker.

Truth waits for eyes unclouded by longing.

Seit über zweitausend Jahren prägt die Lehre des Konfuzius das Denken und die Gesellschaften Ostasiens.

Dieser Band Numerische Mathematik hat Prinzipien des numerischen Rechnens, numerische lineare Algebra und Näherungsmethoden in der Analyse zum Inhalt.

This volume focuses on target-oriented approximations to drug discovery, including target selection, binding pocket detection, and current uses and variants of molecular dynamics and molecular docking.

Ein Kurs in Wundernist ein zeitgenössischer spiritueller Klassiker.

*; Details how sacred sites resonate at the same frequencies as both the Earth and the alpha waves of the human brain *; Shows how human writing in its original hieroglyphic form was a direct response to the divine sound patterns of sacred sites *; Explains how ancient hero myths from around the world relate to divine acoustic science and formed the source of religion The Earth resonates at an extremely low frequency.

This book shows how to derive the simple and accurate semiclassical methods analytically and its applications to excited-state molecular dynamics and spectroscopy simulation with and without classical trajectories.

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

Arching Backward is the story of an American woman who found herself suddenly and violently immersed in a mystical initiation for which she was not consciously prepared.

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

Découvrez un chapitre caché de l'histoire avec "Les femmes en franc-maçonnerie : Une histoire méconnue" de Gwenda Roland.

The self-avoiding walk is a classical model in statistical mechanics, probability theory and mathematical physics.

This book explores the philosophy and the foundations of quantum chemistry.

This textbook contains the essential knowledge in modeling, simulation, analysis, and applications in dealing with biological cellular control systems.

In the 1980's sonochemistry was considered to be a rather restricted branch of chemistry involving the ways in which ultrasound could improve synthetic procedures, predominantly in heterogeneous systems and particularly for organometallic reactions.

Die mittelalterliche Erzählung vom Heiligen Gral gehört zu den großen abendländischen Mythen, die die Menschen bis heute faszinieren.

This book addresses the nature of the chemical bond in inorganic and coordination compounds.

The present book reflects on the life, work, and legacy of an exceptional and enigmatic woman: the philosopher and French Jewish mystic Simone Weil.

This first volume of this two-volume set deals with the important recent discovery of the photomagneton of electromagnetic radiation, a discovery which is fundamental in quantum field theory and in quantum mechanics in matter.

Focused on Ahmad Ibn 'Ajiba - an eighteenth-century Moroccan Sufi scholar renowned for his contribution to Sufi Qur'anic exegesis - this book engages critically with his theory of divine love to elucidate his impact on the wider field of Qur'anic scholarship.

Dieses wertvolle Buch über Medialität und Channeling will dir ein Wegweiser sein, deine Fähigkeiten, und du besitzt diese Fähigkeiten, weiter auszubauen.

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.

In Silico methods to predict toxicity have become increasingly important recently, particularly in light of European legislation such as REACH and the Cosmetics Regulation.

Tauche ein in die faszinierende Welt der Voodoo-Puppen und entdecke die verborgenen Kräfte einer uralten spirituellen Tradition.

The conventional numerical methods when applied to multidimensional problems suffer from the so-called "e;curse of dimensionality"e;, that cannot be eliminated by using parallel architectures and high performance computing.

This book comprehensively covers all the core bioinformatics topics and includes practical examples completed using the MATLAB bioinformatics and machine learning toolboxes(TM).

Knowledge of the excitation characteristics of matter is decisive for the descriptions of a variety of dynamical processes, which are of significant technological interest.

The accurate determination of the structure of molecular systems provides information about the consequences of weak interactions both within and between molecules.