An improved quasi-diabatic representation of the 1, 2, 3 1 A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates

doi:10.1063/1.4944091

Title: An improved quasi-diabatic representation of the 1, 2, 3 ¹ A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates

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Authors:

; Malbon, Christopher L. ^[1] ;

Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA

Publication Date:: 2016-03-28

Grant/Contract Number:: FG02-91ER14189

Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Name: Journal of Chemical Physics Journal Volume: 144 Journal Issue: 12; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics

Sponsoring Org:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Country of Publication:: United States

Language:: English

OSTI Identifier:: 1421161


                    Zhu, Xiaolei, Malbon, Christopher L., and Yarkony, David R.. An improved quasi-diabatic representation of the 1, 2, 3 1 A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates.  United States: N. p.,  
        Web.  doi:10.1063/1.4944091.

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                    Zhu, Xiaolei, Malbon, Christopher L., & Yarkony, David R.. An improved quasi-diabatic representation of the 1, 2, 3 1 A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates.  United States.  doi:10.1063/1.4944091.

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                    Zhu, Xiaolei, Malbon, Christopher L., and Yarkony, David R.. 2016.  
        "An improved quasi-diabatic representation of the 1, 2, 3 1 A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates".  United States.  
        doi:10.1063/1.4944091.

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@article{osti_1421161,

  title        = {An improved quasi-diabatic representation of the 1, 2, 3 1 A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates},

  author       = {Zhu, Xiaolei and Malbon, Christopher L. and Yarkony, David R.},

  abstractNote = {},

  doi          = {10.1063/1.4944091},

  journal      = {Journal of Chemical Physics},

  number       = 12,

  volume       = 144,

  place        = {United States},

  year         = {2016},

  month        = {3}

}

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10.1063/1.4944091
https://doi.org/10.1063/1.4944091

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Title: An improved quasi-diabatic representation of the 1, 2, 3 1 A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates

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resulting from DOE research funding

Title: An improved quasi-diabatic representation of the 1, 2, 3 ¹ A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates