Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases

doi:10.1021/ct300420f

Title: Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases

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Authors:

Foster, Michael E. ^[1]; Wong, Bryan M. ^[1]

Materials Chemistry Department, Sandia National Laboratories, Livermore, California 94551, United States

Publication Date:: 2012-07-11

Sponsoring Org.:: USDOE

OSTI Identifier:: 1123366

Resource Type:: Published Article

Journal Name:: Journal of Chemical Theory and Computation

Additional Journal Information:: Journal Name: Journal of Chemical Theory and Computation Journal Volume: 8 Journal Issue: 8; Journal ID: ISSN 1549-9618

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Foster, Michael E., and Wong, Bryan M. Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases.  United States: N. p., 2012. 
        Web.  doi:10.1021/ct300420f.

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                    Foster, Michael E., & Wong, Bryan M. Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases.  United States.  doi:10.1021/ct300420f.

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                    Foster, Michael E., and Wong, Bryan M. Wed .  
        "Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases".  United States.  doi:10.1021/ct300420f.

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@article{osti_1123366,

  title        = {Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases},

  author       = {Foster, Michael E. and Wong, Bryan M.},

  abstractNote = {},

  doi          = {10.1021/ct300420f},

  journal      = {Journal of Chemical Theory and Computation},

  number       = 8,

  volume       = 8,

  place        = {United States},

  year         = {2012},

  month        = {7}

}

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DOI: 10.1021/ct300420f

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