Physical chemistry

The use of electrochemical energy storage systems in automotive applications also involves new requirements for modeling these systems, especially in terms of model depth and model quality.

In this book, Samohyl and Pekar offer a consistent and general non-equilibrium thermodynamic description for a model of chemically reacting mixtures.

This book presents the state-of-the-art in simulation on supercomputers.

This review book is concerned with the synthesis, charge transport properties and practical applications of poly (o-aminophenol) (POAP) film electrodes.

This book presents the latest developments in Femtosecond Chemistry and Physics for the study of ultrafast photo-induced molecular processes.

This volume describes the most recent findings on the structure of ILs interpreted through cutting-edge experimental and theoretical methods.

Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology.

In his thesis, Florian Schweinberger investigates the influence of the precise size of catalytically active species on reactivity.

In this thesis, Andrew Logsdail demonstrates that computational chemistry is a powerful tool in contemporary nanoscience, complementing experimental observations and helping guide future experiments.

Find out how theoretical calculations are used to determine, elucidate and propose mechanisms for Pd-catalyzed C-C cross-coupling reactions in Max Garcia Melchor's outstanding thesis.

This lecture notes book presents how enhanced structural information of biomolecular ions can be obtained from interaction with photons of specific frequency - laser light.

Chemical reactions and growth processes on surfaces depend on the diffusion and re-orientation of the adsorbate molecules.

This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM).

The book describes the valorization of biomass-derived compounds over gold catalysts.

Ion Correlations at Electrified Soft Matter Interfaces presents an investigation that combines experiments, theory, and computer simulations to demonstrate that the interdependency between ion correlations and other ion interactions in solution can explain the distribution of ions near an electrified liquid/liquid interface.

The basics of computer algebra and the language of Mathematica are described in this textbook, leading towards an understanding of Mathematica that allows the reader to solve problems in physics, mathematics, and chemistry.

This work represents one of the first comprehensive attempts to seamlessly integrate two highly active interdisciplinary domains in soft matter science - microfluidics and liquid crystals (LCs).

The study of fluctuations in statistical physics has a long history, and a general theory is well established, connecting fluctuations to response properties of equilibrium systems.

In this dissertation, Marie-Helene Larraufie develops original radical and pallado-catalyzed methodologies to enable the synthesis of several classes of bioactive nitrogen-containing heterocycles.

Alistair Lennox's thesis reports on the reactivity of organotrifluoroborates, which are becoming increasingly important reagents in synthesis.

This book examines the meso- and nanoscopic aspects of fluid adsorption in porous solids using a non-invasive method of small angle neutron scattering (SANS) and small angle x-ray scattering (SAXS).

This textbook is aimed at second-year graduate students in Physics, Electrical Engineer-ing, or Materials Science.

In his thesis Fluorescence in Bio-inspired Nanotechnology, Jonas Hannestad describes the evolving field of DNA nanotechnology in a lucid and easily accessible way.

Christopher Schirwitz's thesis focuses on improving the quality of in situ synthesized high-complexity peptide micro arrays.

This book focuses on the assembly, organization and resultant collective dynamics of soft matter systems maintained away from equilibrium by an energy flux.

Janet Lau's thesis describes her studies into the use of phthalocyanine-based photosensitizers in combined chemo- and photodynamic therapy (PDT) and targeted PDT.

Ana Escribano Cuesta's thesis presents a detailed study of the inter- and intramolecular reactions of carbonyl compounds with 1,6-enynes using gold (I) complexes.

Theoretical investigations of atoms and molecules interacting with pulsed or continuous wave lasers up to atomic field strengths on the order of 10^16 W/cm2 are leading to an understanding of many challenging experimental discoveries.

This book embraces the entire range of problems associated with phase equilibria in "e;tungsten - carbon"e; binary system and related ternary systems, nonstoichiometry, disorder and order in different tungsten carbides, electronic and crystal structure of these carbides.

The PUILS series delivers up-to-date reviews of progress in Ultrafast Intense Laser Science, a newly emerging interdisciplinary research field spanning atomic and molecular physics, molecular science, and optical science, which has been stimulated by the recent developments in ultrafast laser technologies.

The state-of-the-art in the theoretical statistical physics treatment of the Janus fluid is reported with a bridge between new research results published in journal articles and a contextual literature review.

This textbook presents basic and advanced computational physics in a very didactic style.

This thesis investigates the transitions from one electronically excited state to another.

In this thesis, Till Cremer investigates the bulk properties of ionic liquids (IL), the IL/vacuum interface and the IL/solid interface.

This book presents a design-driven investigation into smart materials developed by chemists, physicists, materials and chemical engineers, and applied by designers to consumer products.

«Würde mich jemand fragen, was mich am tiefsten beruhigt, ich antwortete ihm: Schönheit und Stille.

Josua Boesch hat in kontemplativer Präsenz Ikonen und poetische Texte geschaffen – entstanden aus der Stille, verwoben mit den Fragen des Menschseins.

Representing the first text to cover this exciting new area of research, this book will describe synthesis techniques of CNWs, their characterization and various expected applications using CNWs.

When investigations on semiconductor nanocrystal quantum dots started more than a quarter of a century ago, no one ever believed that nanoparticle research would develop into one of the major fields in modern science.

This is the first text to cover all aspects of solution processed functional oxide thin-films.

A comprehensive treatment of the characterisation techniques used in investigating inorganic and organic molecules that interact with biomolecules is presented to the reader in a clear fashion.

There is a growing need in both industrial and academic research to obtain accurate quantitative results from continuous wave (CW) electron paramagnetic resonance (EPR) experiments.

Structure formation in crystallizing polymers, as occurring during processing, has not been treated so far in a coherent form.

An accurate description of current scientific developments in the field of bioinformatics and computational implementation is presented by research of the BioSapiens Network of Excellence.

The book discusses a class of discrete time stochastic growth processes for which the growth rate is proportional to the exponential of a Gaussian Markov process.

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

This textbook extends from the basics of femtosecond physics all the way to some of the latest developments in the field.

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 book presents a collection of invited research and review contributions on recent advances in (mainly) theoretical condensed matter physics, theoretical chemistry, and theoretical physics.