Download or read book An Investigation of the Geometry and Potential Function of Hydrogen Bonded Dimers by Microwave Spectroscopy written by Hazel Margaret North and published by . This book was released on 1986 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Spectroscopy and Computation of Hydrogen BondedSystems written by Marek J. Wójcik and published by John Wiley & Sons. This book was released on 2023-03-27 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive spectroscopic view of the state-of the-art in theoretical and experimental hydrogen bonding research Spectroscopy and Computation of Hydrogen-Bonded Systems includes diverse research efforts spanning the frontiers of hydrogen bonding as revealed through state-of-the-art spectroscopic and computational methods, covering a broad range of experimental and theoretical methodologies used to investigate and understand hydrogen bonding. The work explores the key quantitative relationships between fundamental vibrational frequencies and hydrogen-bond length/strength and provides an extensive reference for the advancement of scientific knowledge on hydrogen-bonded systems. Theoretical models of vibrational landscapes in hydrogen-bonded systems, as well as kindred studies designed to interpret intricate spectral features in gaseous complexes, liquids, crystals, ices, polymers, and nanocomposites, serve to elucidate the provenance of spectroscopic findings. Results of experimental and theoretical studies on multidimensional proton transfer are also presented. Edited by two highly qualified researchers in the field, sample topics covered in Spectroscopy and Computation of Hydrogen-Bonded Systems include: Quantum-mechanical treatments of tunneling-mediated pathways in enzyme catalysis and molecular-dynamics simulations of structure and dynamics in hydrogen-bonded systems Mechanisms of multiple proton-transfer pathways in hydrogen-bonded clusters and modern spectroscopic tools with synergistic quantum-chemical analyses Mechanistic investigations of deuterium kinetic isotope effects, ab initio path integral methods, and molecular-dynamics simulations Key relationships that exist between fundamental vibrational frequencies and hydrogen-bond length/strength Analogous spectroscopic and semi-empirical computational techniques examining larger hydrogen-bonded systems Reflecting the polymorphic nature of hydrogen bonding and bringing together the latest experimental and computational work in the field, Spectroscopy and Computation of Hydrogen-Bonded Systems is an essential resource for chemists and other scientists involved in projects or research that intersects with the topics covered within.

Download or read book Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards written by and published by . This book was released on 1992 with total page 1216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theses on any subject submitted by the academic libraries in the UK and Ireland.

Download or read book An Investigation of the Microwave Spectra of R20 HX Type Hydrogen Bonded Dimers in the Gas Phase written by Z. Kisiel and published by . This book was released on 1980 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book An Investigation of the Microwave Spectra of R2O HX Type Hydrogen Bonded Dimers in the Gas Phase written by Z. Kisiel and published by . This book was released on 1980 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book An Investigation of the Properties of Some Hydrogen bonded Dimers in the Gas Phase written by Solomon Layiwola Adefolu Adebayo and published by . This book was released on 1989 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Archiv za hemiju written by and published by . This book was released on 1982 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book An Investigation of Tje Microwave Spectra of R20 HX Type Hydrogen Bonded Dimers in the Gas Phase written by and published by . This book was released on 1980 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Proceedings of the Royal Society Section A Mathematical and Physical Science written by Royal Society (Great Britain) and published by . This book was released on 1980 with total page 618 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Hydrogen Bonding written by Steve Scheiner and published by Oxford University Press. This book was released on 1997-09-04 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.

Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1985 with total page 1148 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Journal of the Chemical Society written by and published by . This book was released on 1984 with total page 832 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Publications of the National Institute of Standards and Technology Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1992 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book The Rotational Spectroscopy of Hydrogen bonded Dimers written by A. J. Travis and published by . This book was released on 1986 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book The Theory of Intermolecular Forces written by Anthony Stone and published by OUP Oxford. This book was released on 2013-02-01 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.

Download or read book Pulsed nozzle Fourier transform Microwave Spectroscopy of Weakly Hydrogen Bonded Dimers written by Andrew Lindsay Wallwork and published by . This book was released on 1991 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Halogen Bonding written by Pierangelo Metrangolo and published by Springer Science & Business Media. This book was released on 2008 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: With contributions by numerous experts