Vibration-rotational Spectroscopy and Molecular Dynamics

Vibration-rotational Spectroscopy and Molecular Dynamics

Author: Du?an Papou?ek

Publisher: World Scientific

Published: 1997

Total Pages: 578

ISBN-13: 9789810216351

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The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.


Vibrational Dynamics Of Molecules

Vibrational Dynamics Of Molecules

Author: Joel M Bowman

Publisher: World Scientific

Published: 2022-06-14

Total Pages: 603

ISBN-13: 9811237921

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Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.


Vibrational-rotational Spectroscopy And Molecular Dynamics

Vibrational-rotational Spectroscopy And Molecular Dynamics

Author: Dusan Papousek

Publisher: World Scientific

Published: 1997-10-31

Total Pages: 576

ISBN-13: 9814502456

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The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.


Frontiers of Molecular Spectroscopy

Frontiers of Molecular Spectroscopy

Author: Jaan Laane

Publisher: Elsevier

Published: 2011-08-11

Total Pages: 741

ISBN-13: 0080932371

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Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. - Provides comprehensive coverage of present spectroscopic investigations - Features 20 chapters written by leading researchers in the field - Covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology


Handbook of High-resolution Spectroscopy

Handbook of High-resolution Spectroscopy

Author: Martin Quack

Publisher: John Wiley & Sons

Published: 2011-09-26

Total Pages: 2236

ISBN-13: 0470066539

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The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications


Fundamentals of Ionic Liquids

Fundamentals of Ionic Liquids

Author: Douglas R. MacFarlane

Publisher: John Wiley & Sons

Published: 2017-12-04

Total Pages: 275

ISBN-13: 352733999X

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Written by experts who have been part of this field since its beginnings in both research and academia, this textbook introduces readers to this evolving topic and the broad range of applications that are being explored. The book begins by examining what it is that defines ionic liquids and what sets them apart from other materials. Chapters describe the various types of ionic liquids and the different techniques used to synthesize them, as well as their properties and some of the methods used in their measurement. Further chapters delve into synthetic and electrochemical applications and their broad use as "Green" solvents. Final chapters examine important applications in a wide variety of contexts, including such devices as solar cells and batteries, electrochemistry, and biotechnology. The result is a must-have resource for any researcher beginning to work in this growing field, including senior undergraduates and postgraduates.