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Far-Infrared Band Strengths in the Water Dimer: Experiments and Calculations.

Ceponkus, Justinas ; Uvdal, Per LU and Nelander, Bengt LU (2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(17). p.3921-3926
Abstract
Most fundamentals modes of the water dimer have been experimentally determined, and the frequencies have been measured in either neon or parahydrogen matrices. The band strengths of all intramolecular and most intermolecular fundamentals of the water dimer have been measured. The results are further corroborated by comparison with the corresponding data for the fully deuterated water dimer. DFT calculations of the mode frequencies and band strength are in qualitative agreement with the experimental observations.
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; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
volume
112
issue
17
pages
3921 - 3926
publisher
The American Chemical Society (ACS)
external identifiers
  • pmid:18348553
  • wos:000255292200017
  • scopus:47049120752
  • pmid:18348553
ISSN
1520-5215
DOI
10.1021/jp711178w
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Max-laboratory (011012005), Chemical Physics (S) (011001060)
id
80cd8e89-7922-436a-bb02-4512697d3308 (old id 1052373)
date added to LUP
2016-04-01 14:19:42
date last changed
2022-01-28 00:02:04
@article{80cd8e89-7922-436a-bb02-4512697d3308,
  abstract     = {{Most fundamentals modes of the water dimer have been experimentally determined, and the frequencies have been measured in either neon or parahydrogen matrices. The band strengths of all intramolecular and most intermolecular fundamentals of the water dimer have been measured. The results are further corroborated by comparison with the corresponding data for the fully deuterated water dimer. DFT calculations of the mode frequencies and band strength are in qualitative agreement with the experimental observations.}},
  author       = {{Ceponkus, Justinas and Uvdal, Per and Nelander, Bengt}},
  issn         = {{1520-5215}},
  language     = {{eng}},
  number       = {{17}},
  pages        = {{3921--3926}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory}},
  title        = {{Far-Infrared Band Strengths in the Water Dimer: Experiments and Calculations.}},
  url          = {{http://dx.doi.org/10.1021/jp711178w}},
  doi          = {{10.1021/jp711178w}},
  volume       = {{112}},
  year         = {{2008}},
}