Quantum and theoretical chemistry

First-principles-based modelling of catalysts is a growing field and the past decade has seen the range of applications for it increase.

This book focuses on methods of how to understand the relationship between the structure and physical properties of polymers from the microscopic point of view on the basis of experimental and theoretical methodologies.

For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally.

Thin-Film Capacitors for Packaged Electronics deals with the capacitors of a wanted kind, still needed and capable of keeping pace with the demands posed by ever greater levels of integration.

This volume consists of four chapters that cover a structurally diverse range of naturally occurring compounds.

This thesis highlights the study into the structures and dynamics of interfacial water, which is a cutting edge issue in condensed matter physics.

This textbook takes physics and engineering undergraduates through the mathematics they need in the first years of study.

This volume summarises recent developments and possible future directions for small molecule X-ray crystallography.

This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms by combining the reaction route map and the ab initio molecular dynamics.

In recent years the mathematical modeling of charge transport in semi- conductors has become a thriving area in applied mathematics.

This book presents the latest theoretical studies giving new predictions and interpretations on the quantum correlation in molecular dynamics induced by ultrashort laser pulses.

The finalisation of Volumes I and II completes Eckhart=s Edition of Latin Works (with the exception of the Register).

Written from the ninth to the twentieth century, these poems represent the peak of Islamic Mystical writing, from Rabia Basri to Mian Mohammad Baksh.

This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics.

Quantum theory and computational chemistry have become integral to the fields of chemistry, chemical engineering, and materials chemistry.

This book covers the role of water in global atmospheric phenomena, focussing on the physical processes involving water molecules and water microparticles.

The latest volume in this series for organic chemists in industry presents critical discussions of widely used organic reactions or particular phases of a reaction.

From the reviews of the first edition:"e;I recommend this book to anyone seriously engaged in image processing.

Tief im rituellen Rauch des Kyphi, verborgen in den Schatten der Tempel von Isis, liegt ein vergessenes Wissen: die alchemistische Kunst, die göttliche und irdische Welt miteinander zu verbinden.

The work presented here is a result of an extended collaboration with a number of coworkers and guests.

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.

Timeless Wisdom is a collection of universal texts for study, meditation, and inspiration, selected by Eknath Easwaran, the originator of passage meditation.

This is a textbook on thermodynamics of materials for junior/senior undergraduate students and first-year graduate students as well as a reference book for researchers who would like to refresh their understanding of thermodynamics.

This book focuses on recent topics of quantum science in both physics and chemistry.

The concept of a chemical bond evolved from a variety of experimental observations.

This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures.

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

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

Fractals play an important role in modeling natural phenomena and engineering processes.

This book describes molecular processes taking place in living cells, in which “water” or “solvation” play essential roles.

This book presents Islam as a lived religion through observation and discussion of how Muslims from a variety of countries, traditions and views practice their religion.

This is the eighth volume in the series "e;Mathematics in Industrial Prob- lems.

This book analyses the development of Sufism in Ottoman Egypt, during the seventeenth and eighteenth centuries.

This book focuses on women's important contribution to Sufism by analyzing the lives and seminal contributions of six mystic Sufi women to Islamic spirituality.

Written from a literary critic's perspective, Mysticism in Postmodernist Long Poems borrows insights from Religious Studies and critical theory to examine the role of spirituality in contemporary poetry, specifically the genre of the long poem.

This book offers a clearly written and highly accessible account of two different aspects of carbohydrate chemistry.

Single-molecule techniques eliminate ensemble averaging, thus revealing transient or rare species in heterogeneous systems [1-3].

WISSENSCHAFTLICHER RELIGION

A unique study of the engineering and tools used to create Egyptian monuments *; Presents a stone-by-stone analysis of key Egyptian monuments, including the statues of Ramses II and the tunnels of the Serapeum *; Reveals that highly refined tools and mega-machines were used in ancient Egypt From the pyramids in the north to the temples in the south, ancient artisans left their marks all over Egypt, unique marks that reveal craftsmanship we would be hard pressed to duplicate today.

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 to support those readers just beginning research in this field.

The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry?

Although computational modeling and simulation of material deformation was initiated with the study of structurally simple materials and inert environments, there is an increasing demand for predictive simulation of more realistic material structure and physical conditions.

The term 'mysticism' has never been consistently defined or employed, either in religious traditions or in academic discourse.

From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation.

This book provides an authoritative introduction to the rapidly growing field of chemical reaction network theory.

Advances in Quantum Chemistry, Volume 77, presents surveys of current topics in this rapidly developing field, one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology.

Deep in the heart of spiritual and cultural traditions lies the enduring mystery of Shambala, a hidden kingdom symbolizing ultimate enlightenment and harmony.