Quantum and theoretical chemistry

This newly designed and enlarged edition offers an up-to-date presentation of biosensor development and modeling from both a chemical and a mathematical point of view.

This book presents a unified view of the response of materials as a result of femtosecond laser excitation, introducing a general theory that captures both ultrashort-time non-thermal and long-time thermal phenomena.

This textbook provides a simple approach to understand the various complex aspects of stereochemistry.

This thesis makes significant advances to the understanding of bottlebrush polymers.

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

This book is a substantially revised and expanded edition reflecting major developments in stochastic numerics since the first edition was published in 2004.

The intention of this collection agrees with the purposes of the homonymous mini-symposium (MS) at ICIAM-2019, which were to overview the essentials of geometric calculus (GC) formalism, to report on state-of-the-art applications showcasing its advantages and to explore the bearing of GC in novel approaches to deep learning.

This book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.

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

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

The intention of this collection agrees with the purposes of the homonymous mini-symposium (MS) at ICIAM-2019, which were to overview the essentials of geometric calculus (GC) formalism, to report on state-of-the-art applications showcasing its advantages and to explore the bearing of GC in novel approaches to deep learning.

This book presents a comprehensive overview of state-of-the-art quantum dot photodetectors, including device fabrication technologies, optical engineering/manipulation strategies, and emerging photodetectors with building blocks of novel quantum dots (e.

This book is a marked departure from typical introductory geochemistry books available: It provides a simple, straightforward, applied, and down-to-earth no-nonsense introduction to geochemistry.

This book reviews some of the latest developments in the field of water treatment using multi-functional chitosan-based materials.

This book presents a comprehensive overview of the fundamental concept, design, working protocols, and diverse photo-chemicals aspects of different solar cell systems with promising prospects, using computational and experimental techniques.

This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology.

This book provides a graduate-level introduction to three powerful and closely related techniques in condensed matter physics: memory functions, projection operators, and the defect technique.

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

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

This newly designed and enlarged edition offers an up-to-date presentation of biosensor development and modeling from both a chemical and a mathematical point of view.

This volume summarises recent developments and highlights new techniques which will define possible future directions for small molecule X-ray crystallography.

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

This book is designed to serve as a textbook for core courses offered to postgraduate students enrolled in chemistry.

This book deals with the basic principles and techniques of nonequilibrium statistical mechanics.

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

This volume highlights the latest research in frustrated Lewis pair (FLP) chemistry and its applications.

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

The Science and Business of Drug Discovery is written for those who want to learn about the biopharmaceutical industry and its products whatever their level of technical knowledge.

This book, a consecutive contribution to the series Challenges and Advances in Computational Chemistry and Physics, focuses on understanding the photoinduced processes in biological systems.

Proteins are exposed to various interfacial stresses during drug product development.

This book focuses on the computational modeling of organometallic reactivity.

This book uses experimental and computational methods to rationalize and predict for the first time the relative impact sensitivities of a range of energetic materials.

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This book provides advanced undergraduate and graduate students with an overview of the fundamentals of cold and ultracold chemistry.

The thesis provides the necessary experimental and analytical tools to unambiguously observe the atomically resolved chemical reactions.

This monograph focuses on the mathematical and numerical analysis of simplicial partitions and the finite element method.

This book presents an original investigation into alternative photovoltaic absorbers.

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 thesis presents significant advances in the imaging and theory of the ultrafast dynamics of surface plasmon polariton fields.

This book, now in its second edition, introduces the singularity analysis of differential and difference equations via the Painleve test and shows how Painleve analysis provides a powerful algorithmic approach to building explicit solutions to nonlinear ordinary and partial differential equations.

This book explores how structure impacts the dynamics of organic molecules in an extensive and impressive range of femtosecond time-resolved experiments that are combined with state-of-the-art theoretical approaches.

This textbook facilitates students' ability to apply fundamental principles and concepts in classical thermodynamics to solve challenging problems relevant to industry and everyday life.

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

This book features the essential material for any graduate or advanced undergraduate course covering solid-state electrochemistry.

This book provides a vivid account of the early history of molecular simulation, a new frontier for our understanding of matter that was opened when the demands of theoretical physicists were met by the availability of the modern computers.

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

This book provides a unique and comprehensive overview of the latest advances, challenges and accomplishments in the rapidly growing field of theoretical and computational materials science.

This book presents computer simulations using molecular dynamics techniques in statistical physics, with a focus on macromolecular systems.

Special numerical techniques are already needed to deal with n n matrices for large n.

This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018.