Theoretical Studies of Spectroscopic Properties of Molecules in Gas-phase, Solution-phase, and Polymeric Systems PDF Download
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Author: Tina D. Poulsen
Publisher:
ISBN:
Category :
Languages : en
Pages : 129
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Book Description
Author: Tina D. Poulsen
Publisher:
ISBN:
Category :
Languages : en
Pages : 129
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Book Description
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
The main goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods, and extends them to understand some important properties of materials in condensed phases and interstellar medium as well as in combustion environments.
Author: Young Sik Kim
Publisher:
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Category :
Languages : en
Pages :
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Author:
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Category : Aeronautics
Languages : en
Pages : 1572
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Author: Takayuki Ebata
Publisher:
ISBN: 9789811393723
Category : Cold gases
Languages : en
Pages :
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Book Description
This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.
Author: R. R. Permanand
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Author:
Publisher:
ISBN:
Category : Industrial arts
Languages : en
Pages : 964
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Author: National Science Foundation (U.S.)
Publisher:
ISBN:
Category : Federal aid to research
Languages : en
Pages : 258
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Author: Defense Documentation Center (U.S.)
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 1148
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Author: Dheeraj Kumar Singh
Publisher: Springer Nature
ISBN: 9811502021
Category : Science
Languages : en
Pages : 454
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Book Description
This book presents and discusses recent developments in the broad field of spectroscopy, providing the reader with an updated overview. The main objective is to introduce them to recent innovations and current trends in spectroscopy applied to molecules and materials. The book also brings together experimentalists and theoreticians to highlight the multidimensional aspects of spectroscopy and discuss the latest issues. Accordingly, it provides insights not only into the general goals of spectroscopy, but also into how the various spectroscopic techniques represent a toolbox that can be used to gain a more detailed understanding of molecular systems and complex chemical problems. Besides technical aspects, basic theoretical interpretations of spectroscopic results are also presented. The spectroscopy techniques discussed include UV-visible absorption spectroscopy, Raman spectroscopy, IR absorption spectroscopy, fluorescence spectroscopy, and time-resolved spectroscopy. In turn, basic tools like lasers and theoretical modeling approaches are also presented. Lastly, applications for the characterization of fundamental properties of molecules (environmental aspects, biomolecules, pharmaceutical drugs, hazardous molecules, etc.) and materials (nanomaterials, nuclear chemistry materials, biomaterials, etc.) are discussed. Given its scope, the book offers a valuable resource for researchers from various branches of science, and presents new techniques that can be applied to their specific problems.
