Solvent-Mediated Folding of a Doubly Charged Anion

Yang, Xin; Fu, Youjun; Wang, Xue B; Slavicek, Peter; Mucha, M; Jungwirth, Pavel; Wang, Lai S

doi:10.1021/ja038108c

Title: Solvent-Mediated Folding of a Doubly Charged Anion

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Abstract

The microsolvation of suberate dianion, -O2C(CH2)6CO2-, with two separate charge centers was studied by photoelectron spectroscopy and molecular dynamics simulation one solvent molecule at a time for up to 20 waters.

Authors:: Yang, Xin; Fu, Youjun; Wang, Xue B; Slavicek, Peter; Mucha, M; Jungwirth, Pavel; Wang, Lai S

Publication Date:: Wed Jan 28 00:00:00 EST 2004

Research Org.:: Pacific Northwest National Lab., Richland, WA (US), Environmental Molecular Sciences Laboratory (US)

Sponsoring Org.:: US Department of Energy (US)

OSTI Identifier:: 15007325

Report Number(s):: PNNL-SA-40042
Journal ID: ISSN 0002-7863; JACSAT; 8592; KP1301030; TRN: US200415%%445

DOE Contract Number:: AC06-76RL01830

Resource Type:: Journal Article

Journal Name:: Journal of the American Chemical Society

Additional Journal Information:: Journal Volume: 126; Journal Issue: 3; Other Information: PBD: 28 Jan 2004; Journal ID: ISSN 0002-7863

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANIONS; PHOTOELECTRON SPECTROSCOPY; SOLVENTS; SOLVATION; MOLECULAR DYNAMICS METHOD; ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY, NULL

Citation Formats


                    Yang, Xin, Fu, Youjun, Wang, Xue B, Slavicek, Peter, Mucha, M, Jungwirth, Pavel, and Wang, Lai S. Solvent-Mediated Folding of a Doubly Charged Anion.  United States: N. p., 2004. 
        Web.  doi:10.1021/ja038108c.

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                    Yang, Xin, Fu, Youjun, Wang, Xue B, Slavicek, Peter, Mucha, M, Jungwirth, Pavel, & Wang, Lai S. Solvent-Mediated Folding of a Doubly Charged Anion.  United States.  https://doi.org/10.1021/ja038108c

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                    Yang, Xin, Fu, Youjun, Wang, Xue B, Slavicek, Peter, Mucha, M, Jungwirth, Pavel, and Wang, Lai S. 2004.  
        "Solvent-Mediated Folding of a Doubly Charged Anion".  United States.  https://doi.org/10.1021/ja038108c.

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@article{osti_15007325,

  title        = {Solvent-Mediated Folding of a Doubly Charged Anion},

  author       = {Yang, Xin and Fu, Youjun and Wang, Xue B and Slavicek, Peter and Mucha, M and Jungwirth, Pavel and Wang, Lai S},

  abstractNote = {The microsolvation of suberate dianion, -O2C(CH2)6CO2-, with two separate charge centers was studied by photoelectron spectroscopy and molecular dynamics simulation one solvent molecule at a time for up to 20 waters.},

  doi          = {10.1021/ja038108c},

  url          = {https://www.osti.gov/biblio/15007325},
  journal      = {Journal of the American Chemical Society},

  issn         = {0002-7863},

  number       = 3,

  volume       = 126,

  place        = {United States},

  year         = {Wed Jan 28 00:00:00 EST 2004},

  month        = {Wed Jan 28 00:00:00 EST 2004}

}

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