VRT Dynamics of Water Clusters
Author: Mac George Edward Brown
Publisher:
Published: 1999
Total Pages: 498
ISBN-13:
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Author: Mac George Edward Brown
Publisher:
Published: 1999
Total Pages: 498
ISBN-13:
DOWNLOAD EBOOKAuthor: Frank Norman Keutsch
Publisher:
Published: 2001
Total Pages: 462
ISBN-13:
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Publisher:
Published: 2003
Total Pages: 56
ISBN-13:
DOWNLOAD EBOOKWe test the new VRT(ASP-W)II and VRT(ASP-W)III potentials by employing Diffusion Quantum Monte Carlo simulations to calculate the vibrational ground-state properties of water clusters. These potentials are fits of the highly detailed ASP-W ab initio potential to (D2O)2 microwave and far-IR data, and along with the SAPT5s potentials, are the most accurate water dimer potential surfaces in the literature. The results from VRT(ASP-W)II and III are compare to those from the original ASP-W potential, the SAPT5s family of potentials, and several bulk water potentials. Only VRT(ASP-W)II and the spectroscopically ''tuned'' SAPT5st (with N-body induction included) accurately reproduce the vibrational ground-state structures of water clusters up to the hexamer. Finally, the importance of many-body induction and three-body dispension are examined, and it is shown that the latter can have significant effects on water cluster properties despite its small magnitude.
Author: Kun Liu
Publisher:
Published: 1996
Total Pages: 506
ISBN-13:
DOWNLOAD EBOOKAuthor:
Publisher:
Published: 1992
Total Pages: 150
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DOWNLOAD EBOOKAuthor: Nick Pugliano
Publisher:
Published: 1992
Total Pages: 330
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DOWNLOAD EBOOKAuthor: Nicholas Elliot Watt
Publisher:
Published: 1997
Total Pages: 206
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DOWNLOAD EBOOKAuthor: Roberto Marquardt
Publisher: Elsevier
Published: 2020-09-18
Total Pages: 376
ISBN-13: 0128172355
DOWNLOAD EBOOKMolecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion Presents the most recent developments in the detection and interpretation of ultra-fast phenomena Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Author:
Publisher:
Published: 1993
Total Pages: 638
ISBN-13:
DOWNLOAD EBOOKAuthor: Jeffrey Duane Cruzan
Publisher:
Published: 1997
Total Pages: 654
ISBN-13:
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