Computational Photochemistry PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Computational Photochemistry PDF full book. Access full book title Computational Photochemistry by Massimo Olivucci. Download full books in PDF and EPUB format.
Author: Massimo Olivucci
Publisher: Elsevier
ISBN: 0080455190
Category : Science
Languages : en
Pages : 369
Get Book Here
Book Description
Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials.* Provides an overview of computational photochemistry, dealing with principles and applications* Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials* Written by experts in computational photochemistry
Author: Massimo Olivucci
Publisher: Elsevier
ISBN: 0080455190
Category : Science
Languages : en
Pages : 369
Get Book Here
Book Description
Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials.* Provides an overview of computational photochemistry, dealing with principles and applications* Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials* Written by experts in computational photochemistry
Author: Andrei G. Kutateladze
Publisher: CRC Press
ISBN: 1420030582
Category : Science
Languages : en
Pages : 530
Get Book Here
Book Description
Addressing critical aspects of computational modeling in photochemistry, Molecular Methods in Photochemistry is designed to familiarize researchers and practitioners with state-of-the-art computational methods to predict the reactivity of excited molecules. It provides practical guidelines and examples for the modeling of excited states and describ
Author: Maurizio Persico
Publisher: Springer
ISBN: 3319899724
Category : Science
Languages : en
Pages : 267
Get Book Here
Book Description
This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical perspective and highlights excited state dynamics. The authors, experienced lecturers, describe the main concepts in photochemical and photophysical processes that are used as a basis to interpret classical steady-state experimental results (essentially product branching ratios and quantum yields) and the most advanced time-resolved techniques. A significant portion of the content is devoted to the computational techniques present in quantum chemistry and molecular dynamics.With its short summaries, questions and exercises, this book is aimed at graduate students, while its theoretical focus differentiates it from most introductory textbooks on photochemistry.
Author: Jerzy Leszczynski
Publisher: Springer Science & Business Media
ISBN: 9400707118
Category : Science
Languages : en
Pages : 1451
Get Book Here
Book Description
The role the Handbook of Computational Chemistry is threefold. It is primarily intended to be used as a guide that navigates the user through the plethora of computational methods currently in use; it explains their limitations and advantages; and it provides various examples of their important and varied applications. This reference work is presented in three volumes. Volume I introduces the different methods used in computational chemistry. Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined and special attention is paid to the limits of their applicability. Volume II portrays the applications of computational methods to model systems and discusses in detail molecular structures, the modelling of various properties of molecules and chemical reactions. Both ground and excited states properties are covered in the gas phase as well as in solution. This volume also describes Nanomaterials and covers topics such as clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume III is devoted to the important class of Biomolecules. Useful models of biological systems considered by computational chemists are provided and RNA, DNA and proteins are discussed in detail. This volume presents examples of calcualtions of their properties and interactions and reveals the role of solvents in biologically important reactions as well as the structure function relationship of various classes of Biomolecules.
Author: Zhen Ma
Publisher: Royal Society of Chemistry
ISBN: 184973917X
Category : Science
Languages : en
Pages : 288
Get Book Here
Book Description
Once considered an inert element, gold has recently gained attention as a catalyst. With hundreds of papers being published each year, this book presents a comprehensive review of this rapidly-evolving field, with contributions by leading experts across the globe. Going through the chapters citing the primary literature, the reader will gain a thorough background to the use of gold in catalysis, as well as the latest methods for the preparation of gold catalysts. Other chapters demonstrate the characterisation and modelling of gold-catalysed reactions, with consideration given to both the fundamentals and commercial applications of this emerging group of catalysts.Written to be accessible by postgraduates and newcomers to the field, this book will also benefit experienced researchers and therefore be an essential reference in the laboratory.
Author: Dmitri Kilin
Publisher:
ISBN: 9780841235540
Category : Science
Languages : en
Pages : 368
Get Book Here
Book Description
Photochemical reactions and the underlying photophysical principles play key roles in the rational design of efficient systems for energy conversion and storage. This volume on interfaces contains fundamental theory, computational models, and applications for real materials. Edited by experts with a deep knowledge of the community, the volume will be useful to computational chemists, materials scientists, physical chemists, and especially those working in energy and nanomaterials.
Author: Darrin M. York
Publisher: Springer Science & Business Media
ISBN: 1402099568
Category : Science
Languages : en
Pages : 426
Get Book Here
Book Description
“Multi-scale Quantum Models for Biocatalysis” explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics. This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes. This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas.
Author: Bruce Gilbert
Publisher: Royal Society of Chemistry
ISBN: 1849739811
Category : Medical
Languages : en
Pages : 288
Get Book Here
Book Description
The topics covered in this series describe contrasting types of Electron Paramagnetic Resonance (EPR) application, with results being set into the context of earlier work and presented as a set of critical, yet coherent, overviews.
Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0470126191
Category : Science
Languages : en
Pages : 364
Get Book Here
Book Description
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society
Author: Stefano Protti
Publisher: Royal Society of Chemistry
ISBN: 183916140X
Category : Science
Languages : en
Pages : 495
Get Book Here
Book Description
This volume combines reviews on the latest advances in photochemical research with specific topical highlights in the field. Starting with periodical reports of the recent literature on organic and computational aspects including reports on computational photochemistry and chemiluminescence of biological and nanotechnological molecules, photochemistry of alkenes, dienes and polyenes, aromatic compounds and oxygen-containing functions. The final chapter of this section is a review of industrial application of photochemistry from 2014 to 2019. Coverage continues with highlighted topics, in the second part, from ruthenium-caged bioactive compounds, advances in logically and light induced systems, developments of metal-free photocatalysts, photoresponsive organophosphorus materials and applications of photo-fragmentation in synthesis, photo-click chemistry and azo-based molecular photoswitches. This volume will again include a section entitled 'SPR Lectures on Photochemistry', a collection of examples for academic readers to introduce a photochemistry topic and precious help for students in photochemistry. Providing critical analysis of the topics, this book is essential reading for anyone wanting to keep up to date with the literature on photochemistry and its applications. "A certain amount of energy destroys the same amount of CO2 according to the whether it is administered continuously or intermittently. In order to rationalize this result there are two possibilities, either the destruction of CO2 further occurred in the dark periods, which would lead to the same form of energy storing form, or in the illuminated period the reaction goes at twice the rate." O. Warburg, Biochem. Z., 1919, 100, 230-270.
