The Vibrational Dynamics of 3D HOCl Above Dissociation

The Vibrational Dynamics of 3D HOCl Above Dissociation
Author: Yi-Der Lin
Publisher:
Total Pages: 144
Release: 2015
Genre:
ISBN:

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We have analyzed the vibrational dynamics of HOCl above dissociation using a 3D energy surface which governs the vibrational dynamics of HOCl above dissociation. The dynamics is dominated by an invariant manifold which is trasversally unstable for small spacing between Cl and HO complex, and stable for large spacing. Above dissociation, the InM separates two mirror image periodic orbits, embedded in a large chaotic sea, that can hold a large number of quantum states. The periodic orbits have the capability of forming significant quasibound states of the molecule above dissociation.

Comprehensive Chemical Kinetics

Comprehensive Chemical Kinetics
Author: Nicholas Green
Publisher: Elsevier
Total Pages: 263
Release: 2003-11-21
Genre: Science
ISBN: 0080543448

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Unimolecular reactions are in principle the simplest chemical reactions, because they only involve one molecule. The basic mechanism, in which the competition between the chemical reaction step and a collisional deactivation leads to a pressure-dependent coefficient, has been understood for a long time. However, this is a rapidly developing field, and many new and important discoveries have been made in the past decade.This First Part Part of Two CCK Volumes dealing with Unimolecular Rections, deals with the Reaction Step. The first chapter is an introduction to the whole project, aiming to cover the material necessary to understand the content of the detailed chapters, as well as the history of the development of the area. Chapter 2 is a review of the modern view of the statistical theories, as embodied in the various forms of RRKM theory. Chapter 3 deals with the fully quantum mechanical view of reactive states as resonances. . Presents considerable advances in the field made during the last decade.. Treats both the statistical as well as the fully quantum mechanical view.

Water in Confining Geometries

Water in Confining Geometries
Author: V. Buch
Publisher: Springer Science & Business Media
Total Pages: 488
Release: 2003-04-29
Genre: Science
ISBN: 9783540004110

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Written by leading experts in the field, this book gives a wide-ranging and coherent treatment of water in confining geometries. It compiles and relates interdisciplinary work on this hot topic of research important in many areas of science and technology.

Earth's Climate Response to a Changing Sun

Earth's Climate Response to a Changing Sun
Author: Katja Matthes
Publisher:
Total Pages: 0
Release: 2021
Genre: Business & Economics
ISBN: 9782759818495

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For centuries, scientists have been fascinated by the role of the Sun in the Earth's climate system. Recent discoveries, outlined in this book, have gradually unveiled a complex picture, in which our variable Sun affects the climate variability via a number of subtle pathways, the implications of which are only now becoming clear. This handbook provides the scientifically curious, from undergraduate students to policy makers with a complete and accessible panorama of our present understanding of the Sun-climate connection. 61 experts from different communities have contributed to it, which reflects the highly multidisciplinary nature of this topic. The handbook is organised as a mosaic of short chapters, each of which addresses a specific aspect, and can be read independently. The reader will learn about the assumptions, the data, the models, and the unknowns behind each mechanism by which solar variability may impact climate variability. None of these mechanisms can adequately explain global warming observed since the 1950s. However, several of them do impact climate variability, in particular on a regional level. This handbook aims at addressing these issues in a factual way, and thereby challenge the reader to sharpen his/her critical thinking in a debate that is frequently distorted by unfounded claims.

Computational Thermochemistry

Computational Thermochemistry
Author: Karl K. Irikura
Publisher:
Total Pages: 488
Release: 1998
Genre: Science
ISBN:

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Comprises 20 contributions which grew from the August 1996 symposium. Representative paper topics include estimating phase- change enthalpies and entropies, electrostatic-covalent model parameters for molecular modeling, complete basis-set thermochemistry and kinetics, modeling free energies of solvation and transfer, use of density functional methods to compute heats of reaction, and a density functional study of periodic trends in bond energies. Together the contributions describe all the major methods used for estimating or predicting molecular thermochemistry. Appends information on software and databases for thermochemistry, essential statistical thermodynamics, and worked examples. Annotation copyrighted by Book News, Inc., Portland, OR

Hydrogen Bonding and Transfer in the Excited State

Hydrogen Bonding and Transfer in the Excited State
Author: Ke-Li Han
Publisher: John Wiley & Sons
Total Pages: 1229
Release: 2011-03-16
Genre: Science
ISBN: 1119972922

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This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. Initial chapters present both the experimental and theoretical investigations on the excited-state hydrogen bonding structures and dynamics of many organic and biological chromophores. Following this, several chapters describe the influences of the excited-state hydrogen bonding on various photophysical processes and photochemical reactions, for example: hydrogen bonding effects on fluorescence emission behaviors and photoisomerization; the role of hydrogen bonding in photosynthetic water splitting; photoinduced electron transfer and solvation dynamics in room temperature ionic liquids; and hydrogen bonding barrier crossing dynamics at bio-mimicking surfaces. Finally, the book examines experimental and theoretical studies on the nature and control of excited-state hydrogen transfer in various systems. Hydrogen Bonding and Transfer in the Excited State is an essential overview of this increasingly important field of study, surveying the entire field over 2 volumes, 40 chapters and 1200 pages. It will find a place on the bookshelves of researchers in photochemistry, photobiology, photophysics, physical chemistry and chemical physics.

Thom H. Dunning, Jr.

Thom H. Dunning, Jr.
Author: Angela K. Wilson
Publisher: Springer
Total Pages: 350
Release: 2015-05-04
Genre: Science
ISBN: 3662470519

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In this Festschrift celebrating the career of Thom H. Dunning, Jr., selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.

The Commercial Storage of Fruits, Vegetables, and Florist and Nursery Stocks

The Commercial Storage of Fruits, Vegetables, and Florist and Nursery Stocks
Author: Robert E. Hardenburg
Publisher:
Total Pages: 140
Release: 1986
Genre: Cold storage
ISBN:

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Note for the electronic edition: This draft has been assembled from information prepared by authors from around the world. It has been submitted for editing and production by the USDA Agricultural Research Service Information Staff and should be cited as an electronic draft of a forthcoming publication. Because the 1986 edition is out of print, because we have added much new and updated information, and because the time to publication for so massive a project is still many months away, we are making this draft widely available for comment from industry stakeholders, as well as university research, teaching and extension staff.

Superlubricity

Superlubricity
Author: Ali Erdemir
Publisher: Elsevier
Total Pages: 525
Release: 2007-03-30
Genre: Technology & Engineering
ISBN: 008052530X

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Superlubricity is defined as a sliding regime in which friction or resistance to sliding vanishes. It has been shown that energy can be conserved by further reducing/removing friction in moving mechanical systems and this book includes contributions from world-renowned scientists who address some of the most fundamental research issues in overcoming friction. Superlubricity reviews the latest methods and materials in this area of research that are aimed at removing friction in nano-to-micro scale machines and large scale engineering components. Insight is also given into the atomic-scale origins of friction in general and superlubricity while other chapters focus on experimental and practical aspects or impacts of superlubricity that will be very useful for broader industrial community. * Reviews the latest fundamental research in superlubricity today* Presents 'state-of-the-art' methods, materials, and experimental techniques* Latest developments in tribomaterials, coatings, and lubricants providing superlubricity