Posters

43. Hudson B.S., Marshall M., Lopez V., Allis D.G. “Enol tautomeric polymorph of barbituric acid: The role of zero-point energy in stability.” PHYS-614, Abstracts of Papers, 251st American Chemical Society National Meeting & Exposition, San Diego, CA, United States, March 13-17, 2016.

42. Dinca S., Allis D.G., Sponsler M.B., and Hudson B.S. “Raman and infrared absorption studies of the photopolymerization of 1,4-diiodobuta-1,3-diene in crystalline urea inclusion complex” PHYS-147, Abstracts of Papers, 250th American Chemical Society National Meeting & Exposition, Boston, MA, United States, August 16-20, 2015.

41. Lavin C.M., Goos A.G., Allis D.G. and Ruhlandt-Senge K. “Competition between ligation and solvation in heavy alkaline earth metal tetraarylborates.” INOR-657, Abstracts of Papers, 250th American Chemical Society National Meeting & Exposition, Boston, MA, United States, August 16-20, 2015.

40. Lavin C.M., Goos A.G., Allis D.G. and Ruhlandt-Senge K. “Competition between ligation and solvation in heavy alkaline earth metal tetraarylborates.” NERM-190, Abstracts, 40th Northeast Regional Meeting of the American Chemical Society, Ithaca, NY, United States, June 10-13, 2015.

39. Dinca S.A., Allis D.G., Lashua A.F., Sponsler M.B., and Hudson B.S. “Insulated polyacetylene chains in an inclusion complex by photopolymerization.” Materials Research Society Proceedings, Volume 1799(Crystal Engineering), January 2015, pp. 7 – 12. DOI: 10.1557/opl.2015.486

38. Xiao Y., Mehrotra K.G., Allis D.G., and Borer P.N. “A fast sorting algorithm for aptamer identification using deep sequencing.” Advances in Social Networks Analysis and Mining (ASONAM), 2014 IEEE/ACM International Conference, August 17-20, 2014. DOI:10.1109/ASONAM.2014.6921671.

37. Lavin C.M., Allis D.G., and Ruhlandt-Senge, K. “Role of weak interactions in the coordination chemistry of heavy alkaline earth MOCVD precursors: A theoretical study.” NERM-37, Abstracts, 38th Northeast Regional Meeting of the American Chemical Society, Rochester, NY, USA, Sept. 30-Oct. 3, 2012.

36. Lashua A.F., Dinca S.A., Smith T.M., Allis D.G., Hudson B.S., and Sponsler M.B. “Isolated polyacetylene in an inclusion complex: Synthesis, methodology, and theory.” POLY-325, Abstracts of Papers, 246th American Chemical Society National Meeting & Exposition, Indianapolis, IN, USA, September 8-12, 2013.

35. Hudson B.S. and Allis D.G. “[18]-Annulene: Zero point level average structure and NMR spectrum.” PHYS-457, Abstracts of Papers, 244th American Chemical Society National Meeting & Exposition, Philadelphia, PA, USA, August 19-23, 2012.

34. Lashua A.F., Allis D., Crill J., Dinca S., Sponsler M., and Hudson B.S. “Isolated polyacetylene in an inclusion complex: Exploration of synthetic methods.” PHYS-489, Abstracts of Papers, 244th American Chemical Society National Meeting & Exposition, Philadelphia, PA, USA, August 19-23, 2012.

33. Hudson B.S., Rivera S.A., Hudson M.R., and Allis D.G. “Free energy simulation of molecular crystal thermodynamics.” ORGN-483, Pacifichem 2010, International Chemical Congress of Pacific Basin Societies, Honolulu, HI, USA, December 15-20, 2010.

32. Hudson B.S., Allis D.G., Hudson M.R., and Rivera S.A. “Periodic lattice DFT calculations of inelastic neutron spectra – applications in structure and energetics in molecular crystals.” PTC-592, Pacifichem 2010, International Chemical Congress of Pacific Basin Societies, Honolulu, HI, USA, December 15-20, 2010.

31. Hudson M.R., Allis D.G., and Hudson B.S. “INS vibrational spectroscopy of parabanic and picolinic acid: Hydrogen-bonding in the solid-state.“ PHYS-412, Abstracts of Papers, 239th American Chemical Society National Meeting, San Francisco, CA, USA, March 21-25, 2010.

30. Rivera S.A., Allis D.G., and Hudson B.S. “Lattice contraction stabilizes a neutral-to-ionic change in 4-methylpyridine:pentachlorophenol.” PHYS-579, Abstracts of Papers, 239th American Chemical Society National Meeting, San Francisco, CA, USA, March 21-25, 2010.

29. Hudson B.S. and Allis D.G. “Peierls’ instability of polyacetylene: Calculations on inadequacy as a mechanism of dimerization.” PHYS-488, Abstracts of Papers, 239th American Chemical Society National Meeting, San Francisco, CA, USA, March 21-25, 2010.

28. Hakey P.M., Allis D.G., Hudson M.R., Ouellette, W., and Korter T.M. “Investigation of biologically active compounds via terahertz spectroscopy.” PHYS-528, Abstracts of Papers, 238th American Chemical Society National Meeting, Washington, DC, USA, August 16-20, 2009.

27. Hudson M.R., Allis D.G., Ouellette W., and Hudson B.S. “X-ray structure determination and vibrational spectroscopic investigation of L-alanine alaninium nitrate and ferroelectric triglycine sulfate.” PHYS-574, Abstracts of Papers, 238th American Chemical Society National Meeting, Washington, DC, USA, August 16-20, 2009.

26. Hudson B., Allis D.G., Baldwin J., James S., Morgera K., and O’Leary D. “Computation of deuterium isotope effects on proton chemical shift for hydrocarbons.” NERM-177, Abstracts, 35th Northeast Regional Meeting of the American Chemical Society, Burlington, VT, USA, June 29-July 2, 2008.

25. Hakey P.M., Allis D.G., Hudson M.R., and Korter T.M. “Cryogenic terahertz spectroscopy and solid-state modeling of illicit drugs.” PHYS-430, Abstracts of Papers, 236th American Chemical Society National Meeting, Philadelphia, PA, USA, August 17-21, 2008.

24. Rivera S.A., Allis D.G., and Hudson B.S. “Importance of vibrational zero-point energy to relative polymorph energies for hydrogen bonded species.” PHYS-474, Abstracts of Papers, 236th American Chemical Society National Meeting, Philadelphia, PA, United States, August 17-21, 2008.

23. Rivera S.A., Allis D.G., and Hudson B.S. “Importance of vibrational zero-point energy to relative polymorph energies for hydrogen bonded species.” NERM-176, Abstracts, 35th Northeast Regional Meeting of the American Chemical Society, Burlington, VT, USA, June 29-July 2, 2008.

22. Sims M., Smith B., Helfrich B., Sathaye N., Messick E., Moore T., Fish R., Rajagopalan M., Rotkiewicz P., Hendricks D., Drexler K.E., and Allis D.G. “NanoEngineer-1 – A CAD-based molecular modeling program for structural DNA nanotechnology.” Foundations of Nanoscience 2008 (FNANO08), Snowbird, UT, USA, April 22-25, 2008. Click for a larger view.

21. Allis D.G. and Korter T.M. “Understanding the chemical origins of terahertz spectra.” Intelligence Community Postdoctoral Research Fellowship Colloquium, Washington, DC, USA, April 17-19, 2006. Click for a larger view.

20. Teng W., Allis D.G., and Ruhlandt-Senge K. “Syntheses and structures of the first heavy alkali metal tris(trimethylsilyl)germanides and heavy alkali metal germyls – contact molecules and separated ions.” NRM-233, Abstracts, 34th Northeast Regional Meeting of the American Chemical Society, Binghamton, NY, USA, October 5-7, 2006.

19. Allis D.G. and Drexler K.E. “Molecular tool designs and theoretical analyses for single atom mechanosynthesis.” Foresight Institute 13th Conference on Molecular Nanotechnology, San Francisco, CA, USA, October 23-27, 2005. Click for a larger view.

18. Allis D.G. and Hudson B.S. “The inelastic neutron scattering spectra of Cs2[B12H12] and K2[B12H12].” PHYS-324, Abstract of Papers, 230th American Chemical Society National Meeting, Washington, D.C., USA, August 28 – Sept. 1, 2005. Click for a larger view.

17. Hudson B.S., Braden D., Allis D.G., Verdal N., Hu H., and Jenkins T.A. “Short, strong, symmetric hydrogen bonds: Vibrational inelastic neutron scattering studies.” Abstracts of Papers, 229th American Chemical Society National Meeting, San Diego, CA, USA, March 13-17, 2005.

16. Hudson B.S., Allis D.G., Parker S.F., Ramirez-Cuesta, A.J., Herman H., and Prinzbach, H. “The infrared, Raman and inelastic neutron scattering spectra of dodecahedrane: An Ih molecule in Th site symmetry.” PHYS-355, Abstracts of Papers, 229th American Chemical Society National Meeting, San Diego, CA, USA, March 13-17, 2005.
*15. Allis D.G., Braden D., Jenkins T.A., Baronov S., Middleton C., Withnall R., Brown C.M., Lan Y., and Hudson B.S. “Crystalline 1,3-cyclohexanedione and its complex with benzene: Vibrational spectra, simulation of structure and dynamics and evidence for cooperative hydrogen bonding.” PHYS-555, Abstracts of Papers, 228th American Chemical Society National Meeting, Philadelphia, PA, USA, August 22-26, 2004.

14. Hudson B.S., Jenkins T.A., Hu H., Allis D.G., and Verdal N. “Vibrational inelastic neutron scattering studies of short, strong, symmetric hydrogen bonds.” PHYS-595, Abstracts of Papers, 228th American Chemical Society National Meeting, Philadelphia, PA, USA, August 22-26, 2004.

13. Hudson B.S., Allis D.G., Parker S.F., Yildirim T., Braden D.A., Herman H., and Prinzbach H. “Dodecahedrane: An INS test of solid-state DFT methods.” WP23a, American Conference on Neutron Scattering, NIST Center for Neutron Research, College Park, MD, USA, June 6-10, 2004. Click to enlarge.

12. Ruhlandt-Senge K., Alexander J.S., Allis D., and Hudson B.S. “Alkali metal diphenylmethanides: A synthetic, structural, and computational study.” INOR-710, Abstracts of Papers, 227th American Chemical Society National Meeting, Anaheim, CA, USA, March 28-April 1, 2004.

11. Baker E., Ruhlandt-Senge K., Alexander J.S., Hope H., Allis D.G., Braden D., Green D., Englich U., and Hudson B.S. “Examinations into alkaline earth metal acetylides.” INOR-718, Abstracts of Papers, 227th American Chemical Society National Meeting, Anaheim, CA, United States, March 28-April 1, 2004.

10. Baker E., Ruhlandt-Senge K., Alexander J.S., Hope H., Allis D.G., Braden D., Green D., Englich U., and Hudson B.S. “Examinations into alkaline earth metal acetylides.” GEN-073, GEN-165, Abstracts, 32nd Northeast Regional Meeting of the American Chemical Society, Rochester, NY, USA, October 31-November 3, 2004.

9. Ciezak J.A., Hudson B.S., Jenkins T.A., and Allis D. “Inelastic neutron spectroscopy of organic hydrocarbons.” PHYS-439, Abstracts of Papers, 225th American Chemical Society National Meeting, New Orleans, LA, USA, March 23-27, 2003.

8. Allis D., Newlon A., Taylor J., and Spencer J.T. “New classes of cluster-based high-nonlinear optical response compounds.” INOR-617, Abstracts of Papers, 224th American Chemical Society National Meeting, Boston, MA, USA, August 18-22, 2002.

7. Allis D.G., Middleton C., Braden D., Parker S.F., and Hudson B.S. “Solid-state DFT methods and the property prediction of high-symmetry molecular crystals.” Gordon Research Conference, Vibrational Spectroscopy, Salve Regina University, Providence, RI, USA, July 28-August 2, 2002. Click to enlarge.

6. Allis D.G. and Spencer J.T. “The use of polyhedral materials in molecular electronics and nanostructural applications.” Foresight Institute Eighth Conference on Nanotechnology, Bethesda, MD, USA, November 3-5, 2000.

*5. Allis D.G. and Spencer J.T. “New classes of large nonlinear optical response compounds based upon polyhedral structural units.” Boron USA (BUSA) VII, University of Pittsburgh, Pittsburgh, PA, USA, June 7-10, 2000.

*4. Allis D.G. and Spencer J.T. “The use of polyhedral materials in molecular electronics and nanostructural applications.” Boron USA (BUSA) VII, University of Pittsburgh, Pittsburgh, PA, USA, June 7-10, 2000.

*3. Allis D.G., Taylor J., Rudd G., and Spencer J.T. “Semiempirical and molecular mechanics calculations of polyhedral materials in nanostructures.” Foresight Institute Seventh Conference on Nanotechnology, Santa Clara, CA, USA, October 15-17, 1999.

*2. Allis D.G., Taylor J., Rudd G., and Spencer J.T. “The use of polyhedral materials in molecular electronic and nanostructural applications.” IMEBORON X, Durham University, Grey’s College, Durham, UK, July 11-15, 1999.

*1. Allis D.G., Goodisman J.S., and Spencer J.T. “Hartree-Fock and density functional theoretical considerations of the thermal and photochemical pathways in metallanonaborane cluster complexes.” Boron USA (BUSA) VI, The University of Georgia, Athens, GA, USA, May 14-16, 1998.