Theoretical Studies of Spectroscopic Properties of Molecules in Gas-phase, Solution-phase, and Polymeric Systems 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 Theoretical Studies of Spectroscopic Properties of Molecules in Gas-phase, Solution-phase, and Polymeric Systems PDF full book. Access full book title Theoretical Studies of Spectroscopic Properties of Molecules in Gas-phase, Solution-phase, and Polymeric Systems by Tina D. Poulsen. Download full books in PDF and EPUB format.
Author: Tina D. Poulsen
Publisher:
ISBN:
Category :
Languages : en
Pages : 129
Get Book Here
Book Description
Author: Tina D. Poulsen
Publisher:
ISBN:
Category :
Languages : en
Pages : 129
Get Book Here
Book Description
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
Get Book Here
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:
ISBN:
Category :
Languages : en
Pages :
Get Book Here
Book Description
Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 1572
Get Book Here
Book Description
Author: Takayuki Ebata
Publisher:
ISBN: 9789811393723
Category : Cold gases
Languages : en
Pages :
Get Book Here
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 :
Get Book Here
Book Description
Author:
Publisher:
ISBN:
Category : Industrial arts
Languages : en
Pages : 964
Get Book Here
Book Description
Author: Karol Jackowski
Publisher: Royal Society of Chemistry
ISBN: 1782623817
Category : Medical
Languages : en
Pages : 419
Get Book Here
Book Description
This book covers the recent NMR studies with the application of gaseous molecules. Among the comprehensively discussed aspects of the area it includes in particular: new multinuclear experiments that deliver spectral parameters of isolated molecules and provide the most accurate values of nuclear magnetic shielding, isotropic spin–spin coupling and relaxation times; advanced, precise and correct theoretical descriptions of spectral parameters of molecules as well as the application of gas-phase NMR measurements to chemical analysis and medicine. The progress of research in these fields is enormous and has rapidly changed our knowledge and understanding of molecular parameters in NMR spectroscopy. For example, accurate studies of the shielding for isolated molecules allow the exact determination of nuclear magnetic dipole moments, the calculated values of spectral parameters can be verified by precise gas-phase NMR measurements, and the application of hyperpolarized noble gases provides excellent MRI pictures of lungs. Aimed at graduates and researchers in spectroscopy, analytical chemistry and those researching the applications of NMR in medicine, this book presents the connections between sophisticated experiments, the theory of magnetic parameters and the exploration of new methods in practice.
Author: National Science Foundation (U.S.)
Publisher:
ISBN:
Category : Federal aid to research
Languages : en
Pages : 258
Get Book Here
Book Description
Author: Defense Documentation Center (U.S.)
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 1148
Get Book Here
Book Description
