May 01, 2018:
Welcome to Dr. Tuguldur Togo Odbadrakh joins our group after finishing his PhD at University of Pittsburgh.

Feb 13, 2018:
Dr. Shields is named as a 2018 Cottrell Scholar TREE Award recipient.

July 20-23, 2017:
Our group hosted the 16th MERCURY conference at Furman

June 26, 2017:
Skylight is in full production.

March 13, 2017:
Dr. Temelso is named as a 2017 Foresight Fellow in Computational Chemistry.

Feb 3, 2017:
Dr. Shields gave an invited talk at UVA.

Dec 15, 2016:
ArbAlign, our tool for aligning molecules is made publicly available here.

Sept 01, 2016:
MERCURY consortium was awarded an NSF-MRI grant to purchase a new computer cluster.

August 01, 2016:
After six wonderful years at Bucknell, our group has moved to Furman.

July 21-23, 2016:
Our group hosted the 15th MERCURY conference

March 18, 2016:
Our collaboration on tunneling in water hexamers was published in Science. See the paper, and perspective piece and video describing its significance.

March 24, 2015:
Dr. Shields received the ACS Award for Research at an Undergraduate Institution in Denver, CO.

June 18, 2013:
The new MERCURY machine, Marcy arrived. See its wiki for details.

May 18, 2012:
Our collaborative work on water hexamers got published in Science




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- Furman Chem


Dr. Tuguldur Togo Odbadrakh

Postdoctoral Fellow
Office: Townes Science Center
Phone: (894) 294-2678
Email: togo .odbadrakh @ furman edu

  • B.S. in Chemistry from West Virginia University
  • Ph.D. in Theoretical Chemistry from University of Pittsburgh
  • Characterization of the Primary Hydration Shell of the Hydroxide Ion With H2 Tagging Vibrational Spectroscopy of the OH(H2O)n=2,3 and OD(D2O)n=2,3 Clusters
    O. Gorlova1, J. W. DePalma, C. T. Wolke, A. Brathwaite, T. T. Odbadrakh, K. D. Jordan, A. B. McCoy, M. A. Johnson.
    J. Chem. Phys. 145(13) 134304 (2016)
    (doi: 10.1063/1.4962912)

  • Spectroscopic Snapshots of the Proton-Transfer Mechanism in Water
    C. T. Wolke, J. A. J. Fournier, L. C. Dzugan, M. R. Fagiani, T. T. Odbadrakh, H. Knorke, K. D. Jordan, A. B. McCoy, K. R. Asmis, M. A. Johnson
    Science 354(6316) 1131-1135 (2016)
    (doi: 10.1126/science.aaf8425)

  • Dispersion Dipoles for Coupled Drude Oscillators
    T. T. Odbadrakh, K. D. Jordan
    J. Chem. Phys. 144(3) 034111 (2016)
    (doi: 10.1063/1.4940217)

  • Snapshots of Proton Accomodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2-28 Clusters
    J. A. Journier, C. T. Wolke, M. A. Johnson, T. T. Odbadrakh, K. D. Jordan, S. M. Kathmann, S. S. Xantheas
    J. Phys. Chem. A 119(36) 942509440 (2015)
    (doi: 10.1021/acs.jpca.5b04355)

  • Application of Electronic Structure Methods to Coupled Drude Oscillators
    T. T. Odbadrakh, V. Voora, K. D. Jordan
    Chem. Phys. Lett. 630 76-79 (2015)
    (doi: 10.1016/j.cplett.2015.04.031)

  • Theoretical Study of the Binding Energy of a Methane Molecule in a (H2O)20 Dodecahedral Cage
    M. J. Deible, O. Tuguldur, K. D. Jordan
    J. Phys. Chem. B 118(28) 8257-8263 (2014)
    (doi: 10.1021/jp501592h)

  • Mitsunobu Reaction of 1,2,3-NH-Triazoles: A Regio- and Stereoselective Approach to Functionalized Triazole Derivatives
    W. Yan, T. Liao, O. Tuguldur, C. Zhong, J. L. Petersen, X. Shi
    Chem. Asian. J 6(10) 2720-2724 (2011)
    (doi: 10.1002/asia.201100357)

  • One-pot Synthesis of Substituted Di-Hydrofurans from Lewis Base-Catalyzed Three-Component Condensation C. Zhong, T. Liao, O. Tuguldur, X. Shi
    Org. Lett. 12(9) 2064-2067 (2010)
    (doi: abs/10.1021/ol1005592)