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    1. Gabedit—A graphical user interface for computational chemistry softwares

      http://duke.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV3NbtQwELYKHODCv-hSiiyEUC_pOo4dJ6KqtIrYrVZoUYGqcLIcx-6KVi3a7Q9HHoIn5Ek6YydBKxUJcYlWiZ1sPOPx58nMN4S8NpYbYUuTeCNkIqwFO1iXLrGA7lPOizxXmI18WEy_8v2PxbhaI2-7XJjID9E73HBmBHuNE9zUy-Ef0tBv1m7zFNZrsL_I2oTg6EPVW-FMRuooQDBJkcu0YxVifNj3XFmLbnlzBsc5xkPewSH-cRPoXMWwYREaP4jBIqFSGUZgb8cIlOiLWAnN7jge__NNH5L7LUylo6hXj8iaO31M7lZddbgnZH9ialj3zn___DWigfUapU3R50GRgmLhjXUUEDHdme_aUDqidTtS291lZzjfpUtYB64wCeopORi_-1ztJW15hsQKVbCkMbbMhGE-F7CvzFxjOGzoJBPOF5Z5y2tESxxTNGUpVN4Y33jjM1fDHk94lq0TKpl1KqtF2oC4GiYNbxqvAEKUqVWANAdkq5OQti1pOdbOONGRbplrGBwdBmdAXvVNv0emjpsarYOYtTkCC6oPPnH8bosMdzJV0B9k33dF2u290XuN50KqBpiry3RA3gTV6JuZxTGGximpD2cTPRvP5GSaFxoetNHpjm6twlIXAE7zMivgKu2vwojjNxpz6s4uoAkDQAigWg7Is6hx_aM4y5nKS_gPW0Fb_v6WelpV4cfzf2-6Qe5Fd3mapPIFuX2-uHCbsULGyzCz8PilugZ4ECLJ

      by Allouche, Abdul‐Rahman

      Journal Of Computational Chemistry, Volume 32, Issue 1, pp. 174 - 182

      Journal Article : Full Text Online

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    2. Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry

      http://duke.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwpV1fa9swEBdlL-tL17Wl85YNDQp98mLrrw2hkKQJW6FtOjrGnows26RsJKVJ3vcR9hn3SXZn2epMGIPtzcYnW9KdpJ_ku98RcmIsM8KmJqyMkKGwFubBPC1DC-g-ZixRSmM08ufk4gu7-ZhMx79F8Tt-CH_ghiOjnq9xgJt81X8kDcUIbNjfYaCo5hhljtRNiJCux37HBcbpwos4DzELfcvaGLF-t3h3VdqCmtsekx7JsmYpmj4jX9tG1H7Y75wfijuR6Dhot0yP_9PefbLXIFY6dCb2nOyUiwPydNwmijsksxE04uf3H7Mm4IqeT2_p7GG5XoKRrSigYjoyYAz0sk3FSwfzM5dOojmKpP51g_787Ih8mk5ux-_DJlFDaCUHFUsLIEpJUdVcQHlqeFWIJC5jbbSsSq7KwrAkrwTMvLADUqqQRnMRiVzpmOWMvyBURrbUPBdxIZUoImlYUVSgM57GVgPmDEjYaiizDX05ZtH4ljniZZZhB2W-gwJy6uXvHXHHHyV7rcKzZgCvMqYBamqZijQgb_1j6An8n2IW5XKDMjGyzwEGDsixsw__KQ6wlKtIB0R3LMcLIK1398nibl7Te6cJEgRBtVhtDn-pfTa8-jDxdy__pdArsovXuCLHukeerB825WuXHONNPZ5-Af1FIUY

      by Bursch, Markus; Hansen, Andreas; Mewes, Jan‐Michael and Grimme, Stefan

      Angewandte Chemie International Edition, Volume 61, Issue 42.

      Journal Article : Full Text Online

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    3. Deep learning for computational chemistry

      http://duke.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwnV3PS8MwFA5jF734G62bUsSDl25t2rQpjoFUi-wiiiKeQvqaOkR0uPn_-5K01cEE8dbD64_05SXfe7x8HyGnEqiMIJVeJSPmRQC4Dhap8gDRfUApj-NEn0Z-5JMnenvH86xDzpuzMJYfoi246cgw67UOcFnMh9-koS8AAxolseYC1axNGhzdZO0qHDJLHYUIxuMxCxpWIZ8O2zuX9qLuO8bUKpz5A7aG9b6Tb9r-ECNOppuuB7bpxJYflrqxG1rHfw5ui2zUyNS9sFNpm3TU2w5ZyxpBuF3iXyo1c2uZiWcX0a47mo7ByELUJUUXGvPRcDreIw_51X127dWCCx5gVhh5rEgB93-uSs3jF0OoIkxwQslUVdIEKgAoGZWYoynNG8YpMCYRUlQsqBDpxOEBcZkPKgmLKCjRAaXPJC3LKkFQkAaQIHZ0yFnzzwXUNORaDeNVWAJlKnDswozdISet6cxyb6wy6mnHCQQMmvUWdHsQLDCjQSzFuUP6jT9FHZxzEfCUGtXtwCH71sft8zEDTXCW-viZxj-_v1hMssxcHP7dtEfWqYYFWvuI9Ul38fGpjqwMxbGZvl94Oe-b

      by Goh, Garrett B.; Hodas, Nathan O. and Vishnu, Abhinav

      Journal Of Computational Chemistry, Volume 38, Issue 16, pp. 1291 - 1307

      Journal Article : Full Text Online

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    1. Computational chemistry

      https://find.library.duke.edu/catalog/UNCb9256070

      Jeremy Harvey.

      Book

      This item is currently Available Triangle Research Libraries, QD39.3.E46 H37 2018 

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    2. Computational chemistry

      https://find.library.duke.edu/catalog/DUKE001990964

      Guy H. Grant, W. Graham Richards.

      Book

      Check Holdings for this item's availability Perkins & Bostock Library, QD39.3.E46 G73 1995 

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    3. Computational chemistry : structure, interactions, and reactivity

      https://find.library.duke.edu/catalog/DUKE001052938

      edited by S. Fraga.

      Book

      This item is currently Available Perkins & Bostock Library

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    1. Physical chemistry - Chemistry - LibGuides at Duke University

      https://guides.library.duke.edu/c.php?g=289260&p=9777877

      Journal of Physical Chemistry B The Journal of Physical Chemistry B (JPC B) publishes experimental, theoretical and (...)

    2. Physical chemistry - Chemistry - LibGuides at Duke University

      https://guides.library.duke.edu/chemistry/pchem

      Journal of Physical Chemistry B The Journal of Physical Chemistry B (JPC B) publishes experimental, theoretical and (...)

    3. Cheminformatics - Chemistry - LibGuides at Duke University

      https://guides.library.duke.edu/chemistry/cheminformatics

      Advances and Applications in Bioinformatics and Chemistry (AABC) Advances and Applications in Bioinformatics and Chemistry is (...)

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    1. Computer Planning Committee, Executive Subcommittee: Freeman Task Force on the Establishment (...)

      https://archives.lib.duke.edu/catalog/uadevyverfrank_aspace_ref105_930

      In: Frank Traver De Vyver papers, 1899-1980 » University Committees, 1938-1974

    2. Topical: Office of the Director of University Computing, 1972-1973

      https://archives.lib.duke.edu/catalog/uadeptofchemistry_aspace_d30bf08c1d2823fb7e5a32453c92445f

      In: Department of Chemistry records, 1924-1990, 2011 » Department Chair Louis Quin Files

    3. J. Walter Thompson Company. Frankfurt Office. Herbert Brungs papers, 1969-1988

      https://archives.lib.duke.edu/catalog/jwtfrankfurtbrungs

      The J. Walter Thompson Company (JWT), founded in 1864, is one of the oldest and largest enduring advertising agencies in the United States. (...)

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    1. A computational investigation into the nature and chemistry of boron-nitrogen adducts ; (...)

      https://find.library.duke.edu/catalog/DUKE003019531

      by Mark Andrew Zottola.

      Archival and manuscript material, Book

      Check Holdings for this item's availability University Archives, Library Service Center

    2. Development and application of the combined quantum mechanical/molecular mechanical method and (...)

      https://find.library.duke.edu/catalog/DUKE002751298

      by Yingkai Zhang.

      Archival and manuscript material, Book

      Check Holdings for this item's availability University Archives, Library Service Center

    3. Fundamentals of engineering supplied-reference handbook

      https://find.library.duke.edu/catalog/DUKE008707268

      National Council of Examiners for Engineering and Surveying.

      Archival and manuscript material, Book

      This item is currently Available Library Service Center, TA159 .F83 2011 

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