Douglas J Doren

TitleAssoc Dean
InstitutionUniversity of Delaware
DepartmentCollege of Arts and Sciences
Address4 Kent Way
Newark DE 19716
Phone302-831-1070
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    Other Positions
    TitleProfessor
    InstitutionUniversity of Delaware
    DepartmentChemistry & Biochemistry


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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.
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    PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.
    1. Salavati-Fard T, Caratzoulas S, Doren DJ. DFT Study of Solvent Effects in Acid-Catalyzed Diels-Alder Cycloadditions of 2,5-Dimethylfuran and Maleic Anhydride. J Phys Chem A. 2015 Sep 24; 119(38):9834-43. PMID: 26331220.
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    2. DePalma JW, Doren DJ, Johnston MV. Formation and growth of molecular clusters containing sulfuric Acid, water, ammonia, and dimethylamine. J Phys Chem A. 2014 Jul 24; 118(29):5464-73. PMID: 24963535.
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    3. DePalma JW, Bzdek BR, Doren DJ, Johnston MV. Structure and energetics of nanometer size clusters of sulfuric acid with ammonia and dimethylamine. J Phys Chem A. 2012 Jan 26; 116(3):1030-40. PMID: 22185572.
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    4. Boppana VB, Schmidt H, Jiao F, Doren DJ, Lobo RF. Structure analysis and photocatalytic properties of spinel zinc gallium oxonitrides. Chemistry. 2011 Oct 24; 17(44):12417-28. PMID: 21938747.
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    5. Rahaman O, Estrada TP, Doren DJ, Taufer M, Brooks CL, Armen RS. Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy. J Chem Inf Model. 2011 Sep 26; 51(9):2047-65. PMID: 21644546.
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    6. Rahaman O, van Duin AC, Goddard WA, Doren DJ. Development of a ReaxFF reactive force field for glycine and application to solvent effect and tautomerization. J Phys Chem B. 2011 Jan 20; 115(2):249-61. PMID: 21166434.
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    7. van Duin AC, Bryantsev VS, Diallo MS, Goddard WA, Rahaman O, Doren DJ, Raymand D, Hermansson K. Development and validation of a ReaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases. J Phys Chem A. 2010 Sep 9; 114(35):9507-14. PMID: 20707333.
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    8. Boppana VB, Doren DJ, Lobo RF. A spinel oxynitride with visible-light photocatalytic activity. ChemSusChem. 2010 Jul 19; 3(7):814-7. PMID: 20544790.
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    9. Rahaman O, van Duin AC, Bryantsev VS, Mueller JE, Solares SD, Goddard WA, Doren DJ. Development of a ReaxFF reactive force field for aqueous chloride and copper chloride. J Phys Chem A. 2010 Mar 18; 114(10):3556-68. PMID: 20180586.
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    10. Dong H, Liu W, Doren DJ, Wood RH. Structure of an accurate ab initio model of the aqueous Na+ ion at high temperatures. J Phys Chem B. 2008 Oct 30; 112(43):13552-60. PMID: 18834190.
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    11. Shough AM, Doren DJ, Di Toro DM. Polyfunctional methodology for improved DFT thermochemical predictions. J Phys Chem A. 2008 Oct 23; 112(42):10624-34. PMID: 18823103.
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    12. Liu W, Wood RH, Doren DJ. Sodium chloride in supercritical water as a function of density: potentials of mean force and an equation for the dissociation constant from 723 to 1073 K and from 0 to 0.9 g/cm(3). J Phys Chem B. 2008 Jun 19; 112(24):7289-97. PMID: 18491938.
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    13. Nash MJ, Shough AM, Fickel DW, Doren DJ, Lobo RF. High-temperature dehydrogenation of Brønsted acid sites in zeolites. J Am Chem Soc. 2008 Feb 27; 130(8):2460-2. PMID: 18251479.
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    14. Marie Shough A, Lobo RF, Doren DJ. A visible light photocatalyst: effects of vanadium substitution on ETS-10. Phys Chem Chem Phys. 2007 Oct 7; 9(37):5096-104. PMID: 17878985.
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    15. Dong H, Liu W, Doren D, Wood R. Structure of an accurate ab initio model of the aqueous Cl- ion at high temperatures. J Phys Chem B. 2006 Sep 21; 110(37):18504-14. PMID: 16970478.
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    16. Zimmerman AM, Doren DJ, Lobo RF. Electronic and geometric properties of ETS-10: QM/MM studies of cluster models. J Phys Chem B. 2006 May 11; 110(18):8959-64. PMID: 16671701.
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    17. Witkoskie JB, Doren DJ. Neural Network Models of Potential Energy Surfaces:? Prototypical Examples. J Chem Theory Comput. 2005 Jan; 1(1):14-23. PMID: 26641111.
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    18. Ming Y, Lai G, Tong C, Wood RH, Doren DJ. Free energy perturbation study of water dimer dissociation kinetics. J Chem Phys. 2004 Jul 8; 121(2):773-7. PMID: 15260604.
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    19. Hess JS, Leelasubcharoen S, Rheingold AL, Doren DJ, Theopold KH. Spin surface crossing in chromium-mediated olefin epoxidation with O(2). J Am Chem Soc. 2002 Mar 20; 124(11):2454-5. PMID: 11890791.
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