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Haverford College
Department of Chemistry

Publications

* denotes Haverford College undergraduate students

2013

  • M. C. Walker, B. W. Thuronyi, L. K. Charkoudian, B. Lowry, Chaitan Khosla, M. C. Y. Chang, "Expanding the Fluorine Chemistry of Living Systems Using Engineered Polyketide Synthase Pathways" Science 341 1089-1094 (2013)
  • K. Solvik*, J. A. Weaver*, A. M. Brockway*, J. Schrier, "Entropy-driven Molecular Separations in 2D-Nanoporous Materials, with Application to High-performance Paraffin/Olefin Membrane Separations" J. Phys. Chem. C 117 17050-17057 (2013)
  • Hajlaoui, F.; Naili, H.; Norquist, A. J.; Mhiri, T.; Bataille, T. "The structural transformation of monoclinic [(R)-C5H14N2][Cu(H2O)4](SO4)2& middot; 2H2O into orthorhombic [(R)-C5H14N2]2[Cu(H2O)6](SO4)3; crystal structures and thermal behavior." Phase Trans. 2013, 1-14.
  • Hellstrand, E., Kukora, S.*, Shuman, C.F., Steenbergen, S.*, Thulin, E., Kohli, A.*, Krouse, B.*, Linse, K., Åkerfeldt, K.S., "Förster resonance energy transfer studies of calmodulin produced by native protein ligation reveal inter-domain electrostatic repulsion" FEBS J. 280, 2675-2687 (2013).
  • Hoffman, K. W.*, Romei, M. G.*, Londergan, C. H. "A New Raman Spectroscopic Probe of Both the Protonation State and Noncovalent Interactions of Histidine Residues." J. Phys. Chem. A, 117, 5987–5996 (2013).
  • K. B. Chang*, M. D. Smith*, S.M. Blau*, E. C. Glor*, M. Zeller, J. Schrier, A. J. Norquist, "Steric-Induced Layer Flection in Templated Vanadium Tellurites" Cryst. Growth Des. 13, 2190-2197 (2013).
  • A. M. Brockway*, J. Schrier, "Noble Gas Separation using PG-ESX (X=1,2,3) Nanoporous Two-dimensional Polymers" J. Phys. Chem. C, 117, 393-402 (2013).
  • White, H.K., L. Xu, P. Hartmann, J.G. Quinn, C.M. Reddy "The unresolved complex mixture (UCM) in coastal environments is derived from fossil sources" Env. Sci. Technol. 47, 726-731 (2013).
  • K.S. Åkerfeldt, T. Cedervall, M.C. Bauer, S. Linse, "CalbindinD28k", in Encyclopedia of Calcium Binding Proteins. Uversky and Kretsinger, Ed., Springer, in press (2013).

2012

  • H. K. White, P.-Y. Hsing, W. Cho, T. M. Shank, E. E. Cordes, A. M. Quattrini, R. K. Nelson, R. Camilli, A. W. J. Demopoulos, C. R. German, J. M. Brooks, H. H. Roberts, W. Shedd, C. M. Reddy, C. R. Fisher. "Reply to Boehm and Carragher: Multiple lines of evidence link deep-water coral damage to Deepwater Horizon oil spill" Proc. Natl. Acad. Sci. 109 (40) E2648 (2012)
  • H. K. White, P.-Y. Hsing, W. Cho, T. M. Shank, E. E. Cordes, A. M. Quattrini, R. K. Nelson, R. Camilli, A. W. J. Demopoulos, C. R. German, J. M. Brooks, H. H. Roberts, W. Shedd, C. M. Reddy, Charles R. Fisher, "Impact of the Deepwater Horizon oil spill on a deep-water coral community in the Gulf of Mexico" Proc. Natl. Acad. Sci. 109, 20303-20308 (2012).
  • Gautier, R.; Norquist, A. J.; Poeppelmeier, K. R., "From racemic to polar materials" Cryst. Growth Des., 51, 6267-6271 (2012).
  • Behnen P, Davis E,* Delaney E,* Frohm B, Bauer M, Cedervall T, O'Connell D, Åkerfeldt KS, Linse S., “Calcium-Dependent Interaction of Calmodulin with Human 80S Ribosomes and Polyribosomes.” Biochemistry, 51, 6718-27 (2012).
  • J. H. Olshansky*, T. T. Tran, K. J. Hernandez, M. Zeller, P. S. Halasyamani, J. Schrier, A. J. Norquist, “Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks” Inorg. Chem. 51, 11040-11048 (2012)
  • J. Schrier, "Carbon Dioxide Separation with a Two-Dimensional Polymer Membrane" ACS Appl. Mater. Interfaces 4, 3745-3752 (2012).
  • M. D. Smith*, S. M. Blau*, K. B. Chang*, T. T. Tran, M. Zeller, P. S. Halasyamani, J. Schrier, A. J. Norquist, "Inducing polarity in [VO3]nn- chain compounds using asymmetric hydrogen-bonding networks", J. Solid State Chem. 195 86-93 (2012).
  • A. W. Hauser, J. Schrier, P. Schwerdtfeger, "Helium Tunneling through Nitrogen-Functionalized Graphene Pores: Pressure- and Temperature-Driven Approaches to Isotope Separation" J. Phys. Chem. C 116, 10819-10827 (2012).
  • Hajlaoui, F.; Naili, H.; Yahyaoui, S.; Norquist, A. J.; Mhiri, T.; Bataille, T., "Synthesis, Crystal Structures And Thermal Behavior Of Organic-Inorganic Hybrids Incorporating A Chiral Diamine" J. Organometallic Chem., 700, 110-116 (2012).
  • Gross, R. A.; Schofield, M. H. "Sophorolipid Analog Compositions." US Patent 2012/0,022,241, 2012.
  • Viswanathan, K.; Schofield, M. H.; Teraoka, I.; Gross, R. A. "Surprising metal binding properties of phytochelatin-like peptides prepared by protease-catalysis." Green Chem. 2012, 14, 1020–1029.
  • J. Schrier, "Ethanol concentration by forward osmosis with solar-regenerated draw solution", Solar Energy 86, 1351-1358 (2012).
  • J. Schrier, J. McClain*, "Thermally-driven isotope separation across nanoporous graphene", Chem. Phys. Lett. 521, 118-124 (2012).

2011

  • K. N. Alfieri*, A. R. Vienneau*, C. Londergan, "Using Infrared Spectroscopy of Cyanylated Cysteine To Map the Membrane Binding Structure and Orientation of the Hybrid Antimicrobial Peptide CM15", Biochemistry 50, 11097-11108 (2011).
  • J. Schrier, "Fluorinated and Nanoporous Graphene Materials As Sorbents for Gas Separations", ACS Appl. Mater. Interfaces 3, 4451-4458 (2011).
  • M.D. Smith*, S.M. Blau*, K.B. Chang*, M. Zeller, J. Schrier, A.J. Norquist, "Beyond Charge Density Matching: The Role of C–H···O Interactions in the Formation of Templated Vanadium Tellurites" Cryst. Growth Des. 11, 4213-4219 (2011).
  • A. N. Sokolov, S. Atahan-Evrenk, R. Mondal, H. B. Akkerman, R. S. Sánchez-Carrera, S. Granados-Focil, J. Schrier, S. C.B. Mannsfeld, A. P. Zoombelt, Z. Bao, A. Aspuru-Guzik, "From computational discovery to experimental characterization of a high hole mobility organic crystal" Nature Commun. 2, 437 (2011).
  • J.H. Olshansky*, S.M. Blau*, M. Zeller, J. Schrier, A.J. Norquist, "Understanding an order-disorder phase transition in ionothermally synthesized gallium phosphates" Cryst. Growth Des. 11, 3065-3071 (2011).
  • A.V. Subhas*, J. Whealdon*, J. Schrier, "Predicting organic thin-film transistor carrier type from single molecule calculations" Comput. Theoret. Chem. 966, 70 (2011).
  • E.C. Glor*, S.M. Blau*, J. Yeon, M. Zeller, P.S. Halasyamani, J. Schrier, A.J. Norquist, "[R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10]; new polar templated vanadium tellurite enantiomers" J. Solid State Chem. 184, 1445 (2011)
  • B.W. Alligood, C.C. Womack, D.B. Strauss, F.R. Blase, L.J. Butler, “The dissociation of vibrationally excited CH(3)OSO radicals and their photolytic precursor, methoxysulfinyl chloride” J. Chem. Phys. 134, 194304 (2011)

2010

  • C.E. Searls,*, S.T. Kleespies,* M.L. Eppright,* S.C. Schwartz,*G.P.A. Yap, R.C. Scarrow, “Trigonal Bi- and Monopyramidal Cobalt(II) Complexes of a Novel Guanidine-Based Tripodal Ligand.” Inorg. Chem., 2010, 49, 11261—11263.
  • Kaufman, E.K.*; Zeller, M.; Norquist, A.J. A Slow Leak Synthetic Route to Organically Templated Gallium Sulfates. Cryst. Growth Des. 2010, 10, 4656-4661.
  • Bischak, Connor G.*, Longhi, Sonia, Snead, David M.*, Costanzo, Stephanie, Terrer, Elodie, Londergan, C.H. Probing structural transitions in the intrinsically disordered C-terminal domain of the measles virus nucleoprotein by vibrational spectroscopy of cyanylated cysteines. Biophys. J., 2010, 99, 1676-1683
  • J. McClain*, J. Schrier, “Multiple Exciton Generation in Graphene Nanostructures” J. Phys. Chem. C 114, 14332 (2010)
  • J. Schrier, "Helium Separation Using Porous Graphene Membranes" J. Phys. Chem. Lett. 1, 2284 (2010)
  • K.B. Chang*, D.J. Hubbard*, M. Zeller, J. Schrier, A.J. Norquist, “The role of stereoactive lone pairs in templated vanadium tellurite charge density matching” Inorg. Chem.49, 5167 (2010)
  • Edelstein, L.*, Stetz, M.G.*, McMahon, H.A.*, Londergan, C.H. The effects of cyanylated cysteine and α-helical structure on each other. J. Phys. Chem. B, 2010, 114, 4931-4936.
  • McMahon, H.A.*, Alfieri, K.N.*, Clark, K.A.A.*, Londergan, C.H. Cyanylated cysteine: a covalently attached vibrational probe of protein-lipid contacts. J. Phys. Chem. Lett. 2010, 1, 850-855
  • R. Sanchez-Carrera, S. Atahan-Evrenk, J. Schrier, A. Aspuru-Guzik,"Theoretical Characterization of the Air-stable, High-mobility Dinaphtho[2,3-b:2’,3’-f]thieno[3,2-b]-thiophene Organic Semiconductor" J. Phys. Chem. C 114, 2334 (2010)
  • O’Connell, D.J.O.; Bauer, M.C.;O’Brien,J.; Johnson, W.M.*; Divizio, C.A.*; O’Kane, S.;Berggård, T.; Merino, A.;Åkerfeldt, K.S.; Linse, S.; Cahill, D.J. “Integrated protein array screening and high throughput validation of 70 novel neural calmodulin binding proteins” Molecular &Cellular Proteomics 2010 9: 1118-1132.

2009

  • Choyke, S.J.;* Blau, S.M.;* Larner, A.A.;* Narducci Sarjeant, A.; Yeon, J.; Halasyamani, P.S.; Norquist, A.J. Noncentrosymmetry in New Templated Gallium Fluorophosphates. Inorg. Chem. 2009, 48, 11277-11282.
  • Karin S. Åkerfeldt “Editorial: New Guidelines in Medical Education” Biochemistry and Molecular Biology Education 2009 37, 323-324.
  • H.S. Casalongue*, S.J. Choyke*, A.N. Sarjeant, J. Schrier, A.J. Norquist, "Charge density matching in templated molybdates" J. Solid State Chem. 182, 1297 (2009)
  • A. Aspuru-Guzik, J. Schrier, S. Granados-Focil, "Air-stable, high hole mobility thieno-thiophene derivatives" World Patent WO/2009/009790

2008

  • Hubbard, D.J.;* Johnston, A.R.;* Sanchez Casalongue H.;* Narducci Sarjeant, A.; Norquist, A. J. Synthetic Approaches for Noncentrosymmetric Molybdates. Inorg. Chem. 2008, 47, 8518-8525.

2007

  • J.H. Markgraf, L. Hong, D.P. Richardson, M.H. Schofield, “Substituent effects on N-15 and C-13 NMR chemical shifts of5-phenyl-1,3,4-oxathiazol-2-ones: a theoretical and spectroscopic study” Magnetic Resonance in Chemistry 45, 985-988 (2007)
  • Maienschein-Cline, M.C.,* Londergan, C.H. “The CN stretching mode of aliphatic thiocyanate is sensitive to solvent dynamics and specific solvation”. J. Phys. Chem. A 2007, 111, 10020-10025.
  • Nelson, J.H.;* Johnston, A.R.*; Narducci Sarjeant, A.; Norquist, A.J. Composition Space Analysis of Templated Molybdates.Solid State Sci. 2007, 9, 472-484.
  • Stover, A.K.;* Gutnick, J.R.;* Narducci Sarjeant, A.; Norquist, A.J. [Mo16O53F2]12-; a New Polyoxofluoromolybdate Anion. Inorg. Chem. 2007, 46, 4389-4391.
  • Nelson, J.H.;* Narducci Sarjeant, A.; Norquist, A.J. [Poly[tris(p-xylylenediaminium)[tetradeca-m-oxo-hexadecanonamolybdate(VI)]]] Acta Crystallogr. Sect. E 2007, 63, m1442-m1444.
  • Welk, M.E.; Stern, C.L.; Poeppelmeier, K.R.; Norquist, A.J.The Effects of Reaction Gel Dehydration in the Synthesis of Cu(NC5H5)4VOF4 and [Cu(NC5H5)4VOF4][ Cu(NC5H5)4(H2O)VOF4]·H2OCryst. Growth Des. 2007, 7, 956-961.

2006

  • “Identification of the Dinuclear and Tetranuclear Air-Oxidized Products Derived from Labile Phenolate-Bridged Dimanganese(II) Pyridyl-Chelate Compounds.” Larsen, F.B.; Boisen, A.; Berry, K.J.; Moubaraki, B.; Murray, K.S.; McKee, V.; Scarrow, R.C.; McKenzie, C.J. Eur. J. Inorg. Chem. 2006, 2006, 3841—3852.
  • M.H. Schofield, M.A. Sorel, R.J. Manalansan, D.P. Richardson, J.H. Markgraf, “Substituent effects on N-15 and C-13 NMR chemical shifts of 3-phenylisoxazoles: a theoretical and spectroscopic study” Magnetic Resonance in Chemistry 44, 851-855 (2006)
  • Williams, G.R.; Norquist, A.J.; O’Hare, D. Incorporation of Li into MnOOH: An In Situ X-ray and Neutron Diffraction Study.Chem. Mater. 2006, 18, 3801-3807.
  • Nelson, J.R.;* Narducci Sarjeant, A.; Norquist, A.J. Poly[tetrakis(4-aminopyridium) [hexadeca-m-decaoxooctamolybdate(VI)]].Acta Crystallogr. Sect. E, 2006, 62, m1731-m1733.
  • Veltman, T.R.;* Stover, A.K.;* Narducci Sarjeant, A.; Ok, K.M.; Halasyamani, P.S.; Norquist, A.J. Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis. Inorg. Chem. 2006, 45, 5529-5537.
  • Nelson, J.R.;* Narducci Sarjeant, A.; Norquist, A.J.Poly[bis(4-aminopyridinium) decaoxotrimolybdate(VI)].Acta Crystallogr. Sect. E, 2006, 62, m1448-m1450.
  • Shuman, C.F.; Jiji, R.*; Åkerfeldt, K.S.; Linse, S. ”Reconstitution of Calmodulin from Domains and Subdomains: Influence of Target Peptide” J. Mol. Biol. 2006 358(3):870-81.
  • C.E. Wintner, “Recollecting the Institute of Organic Chemistry, ETH Zurich, 1972-1990”, Chimia 60, 142-148 (2006)

2005

  • Dunetz, J.R.*; Sandstrom, C*.; Young, E.R.*; Baker, P.*; Van Name, S.A.*; Cathopolous, T.*; Fairman, R.; de Paula, J.C.; Åkerfeldt, K.S. “Self-Assembling Porphyrin-Modified Peptides” Org. Lett. 2005 7(13), 2559-61.
  • Cedervall, T.; Andrè, I.; Selah, C.*; Robblee, J.P.*; Krecioch, P.C.*; Fairman, R.; Linse, S.; Åkerfeldt, K.S. “Calbindin D28k EF-Hand Ligand Binding and Oligomerization: Four High-Affnity Sites — Three Modes of Action Biochemistry 2005 44(41) 13522-13532.
  • Muller, E.A.;* Cannon, R.J.;* Narducci Sarjeant, A.; Ok, K.M.; Halasyamani, P.S.; Norquist, A.J. Directed Synthesis of Noncentrosymmetric Molybdates. Cryst. Growth Des. 2005, 5, 1913-1917.
  • Thorn, K.J.;* Narducci Sarjeant, A.; Norquist, A.J. [C4H14N2]2[Mo8O26]·2H2O: A New Molybdate Salt. Acta Crystallogr. Sect. E, 2005, 61, m1665-m1667.
  • Norquist, A.J.; Doran, M.B.; O’Hare, D. The Role of Amine Sulfates in Hydrothermal Uranium Chemistry.Inorg. Chem. 2005, 44, 3837-3843.
  • Doran, M.B.; Norquist, A.J.; O’Hare, D. (C3H12N2 )2[UO2(H2O)2 (SO4)2]2·2H2O: An Organically Templated Uranium Sulfate with a Novel Dimer Type.Acta Crystallogr. Sect. E 2005, 61, m881-m884.
  • Norquist, A.J.; Doran, M.B.; O’Hare, D. (C7H20N2 )[(UO2)2(SO4)3]: An Organically Templated Uranium Sulfate with a Novel Layer Topology.Acta Crystallogr. Sect. E 2005, 61, m807-m810.
  • Muller, E.A.;* Narducci Sarjeant, A.; Norquist, A.J. (C6H16)2[Mo8O26]: A New b-Octamolybdate Salt. Acta Crystallogr. Sect. E2005, 61, m730-m732.
  • Cedervall, T.; Berggård, T.; Borek, V.*; Thulin, E.; Linse S.; Åkerfeldt, K.S. “Redox Sensitive Cysteine Residues in Calbindin D28k are structurally and functionally important” Biochemistry 2005 44, 684-693.
  • Fairman, R.; Åkerfeldt, K.S. “Peptides as Smart Materials” Current Opinion in Structural Biology 2005 4, 453-63.
  • Vanbelle, C.; Halgand, F.; Cedervall, T.; Thulin, E.; Åkerfeldt, K.S.; Laprévote, O.; Linse, S. “Deamidation and Disulfide Bridge Formation in Human Calbindin D28k with Effects on Calcium Binding” Protein Science 2005 4, 968-79.

2004

  • C.E. Miller, L.R. Brown, “Near infrared spectroscopy of carbon dioxide I.(OCO)-O-16-C-12-O-16 linepositions”, J. Mol. Spectrosc. 228, 329-354 (2004).
  • C.E. Miller, M.A. Montgomery*, R.M. Onorato*, C. Johnstone*, T.P. McNicholas*, B. Kovaric*, L.R. Brown, “Near infrared spectroscopy of carbon dioxide. II :(OCO)-O-16-C-13-O-16and (OCO)-O-16-C-13-O-18 line positions” J. Molec. Spectrosc. 228, 355-374 (2004).
  • Gutnick, J.R.;* Muller, E.A.;* Narducci Sarjeant, A.; Norquist, A.J. [N2C5H14][(MoO3)3(SO4)]·H2O: Sulfated a-Molybdena Chains. Inorg. Chem. 2004, 43, 6528-6530.
  • André, I.; Kesvatera, T.; Jönsson, B.; Åkerfeldt, K.S.; Linse, S. “The Role of Electrostatic Interactions in Calmodulin-Peptide Complex Formation” Biophysical Journal 2004 87(3), 1929-38.
  • Doran, M.B.; Norquist, A.J.; Stuart, C.L.; O’Hare, D. (C8H26N4)0.5[(UO2)2(SO4)3(H2O)]·2H2O, An Organically Templated Uranyl Sulfate with a Novel Layer Type. Acta Crystallogr. Sect. E 2004, 60, m996-m998.
  • Photoconductivity of Self-Assembled Porphyrin Nanorods, A.D. Schwab, D.E. Smith,* B. Bond-Watts,* D.E. Johnston, J. Hone, A.T. Johnson, J.C. de Paula, and W.F. Smith, Nanoletters 4, 1261-1265 (2004)
  • Norquist, A.J.; O’Hare, D. Kinetic and Mechanistic Investigations of Hydrothermal Transformations in Zinc Phosphates.J. Am. Chem. Soc. 2004, 126, 6673-6679.
  • C.E. Miller, J.S. Francisco, “Proton affinity of peroxyacetic acid” J. Phys. Chem. A 108, 2930-2935 (2004)
  • "Photodissociation of CH3OCl to CH3O + Cl at 248 nm.”Krisch, M.J.; McCunn, L.R.; Takematsu, K.; Butler, L.J.; Blase, F.R.; Shu, J.J. Phys. Chem., 2004, 108, 1650-1656.
  • Williams, G.R.; Norquist, A.J.; O’Hare, D.Time-Resolved, In-situ X-ray Diffraction Studies of Staging During Phosphonic Acid Intercalation into [LiAl2(OH)6]Cl·H2O.Chem. Mater. 2004, 16, 975-981.
  • Doran, M.B.; Stuart, C.L.; Norquist, A.J.; O’Hare, D.[N2C6H14]2[(UO2)6(H2O)2F2(PO4)2(HPO4)4]·4H2O; A New Microporous Uranium Phosphate Fluoride.Chem. Mater. 2004, 16, 565-566.
  • D. Crisp, R.M. Atlas, F.M. Breon, L.R. Brown, J.P. Burrows, P. Ciais, B.J. Connor, S.C. Doney, I.Y. Fung, D.J. Jacob, C.E. Miller, D. O’Brien, S. Pawson, J.T. Randerson, P. Rayner, R.J. Salawitch, S.P. Sander, B. Sen, G.L. Stephens, P.P. Tans, G.C. Toon, P.O. Wennberg, S.C. Wofsy, Y.L. Yung, Z.M. Kuang, B. Chudasama, G. Sprague, B. Weiss, R. Pollock. D. Kenyon, S. Schroll, “The orbiting carbon observatory (OCO) mission” Advances in Space Research 34 700-709 (2004)
  • "Development of porous materials for heterogeneous catalysis: kinetic resolution of epoxides." Welbes, L.L.; Scarrow, R.C.; Borovik, A.S. Chem. Commun., 2004, 2544-2545.
  • Doran, M.B.; Cockbain, B.E.; Norquist, A.J.; O’Hare, D. The Effects of Hydrofluoric Acid Addition on the Hydrothermal Synthesis of Templated Uranium Sulfates. J. Chem. Soc. Dalton Trans. 2004, 3810-3814.

2003

  • Schofield, M.H.; Halpern, J., Kinetics and mechanism of decomposition of nickel benzyl complexes and determination of nickel-benzyl bond dissociation energies. Inorg. Chim. Acta 2003, 345, 353-358.
  • Landis, E.A.; Scroggins, S.T.; Schofield, M.H.; Park, L.Y., Models of coenzyme B12. An undergraduate chemistry experiment combining synthesis of Cob(III)aloxime complexes and their characterization by 1H NMR and cyclic voltammetry. Chem. Educ. 20038, 248-250
  • A.D. Schwab, D.E. Smith,* C.S. Rich,* E.R. Young,* W.F. Smith, and J.C. de Paula, “Porphyrin Nanorods, “ J. Phys. Chem. B 107, 11339-11345 (2003).
  • M.B. Doran, A.J. Norquist, D. O’Hare, “TI catena-poly[cyclohexane-1,4-diammonium[[dioxo(sulfato-kappaO-2,O')uranium(VI)]-mu-sulfato]dihydrate]” . Acta Crystallogr. Sect. E 59, m765-m767 (2003)
  • M.B. Doran, A.J. Norquist, D. O’Hare, “Poly[[1,4-bis-(3-aminopropyl)piperazinium[[dioxouranium(VI)]-di-mu(2),mu(3)-sulfato]]”. Acta Crystallogr. Sect. E 59, m762-m764 (2003)
  • C.E. Miller, E.A. Cohen, “The rotational spectrum of iodine dioxide, OIO” J. Chem. Phys. 118, 6309-6317 (2003).
  • “How does cyanide inhibit superoxide reductase?Insight from synthetic FeIIIN4S model complexes.” Shearer, J.; Fitch, S.B.; Kaminsky, W.; Benedict, J.; Scarrow, R.C.; Kovacs, J.A. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 3671-3676.
  • Raman Spectra and Normal Coordinate Analyses of Low-Frequency Vibrations of Oxo-bridged Manganese Complexes, A. Cua, J.S. Vrettos,* J.C. de Paula, G.W. Brudvig, and D.F. Bocian, Journal of Biological Inorganic Chemistry 8, 439-451 (2003).
  • “A dihydroxo-bridged Fe(II)-Fe(III) complex: A new member of the diiron diamond core family.”Egdal, R.K.; Hazell, A.; Larsen, F.B.; McKenzie, C.J.; Scarrow, R.C. J. Am. Chem. Soc. 2003, 125, 32-33.

2002

  • C.E. Miller, J.S. Francisco, “A quadratic configuration interaction study of the proton affinity of acetic acid” Chem. Phys. Lett. 364, 427-431 (2002).
  • “Synthetic Models For the Cysteinate—Ligated Non—Heme Iron Enzyme Superoxide Reductase: Observation and Structural Characterization by XAS of an FeIII-OOH Intermediate.”Shearer, J.; Scarrow, R.C.; Kovacs, J.A. J. Am. Chem. Soc. 2002, 124, 11709-11717.
  • “The First Example of a Nitrile Hydratase Model Complex that Reversibly Binds Nitriles.”Shearer, J.; Jackson, H.L.; Schweitzer, D.; Rittenberg, D.K.; Leavy, T.M.;* Kaminsky, W.; Scarrow, R.C.; Kovacs, J.A. J. Am. Chem. Soc. 2002, 124, 11417-11428.
  • Wassner, A.*; Hurt, J.A.*; Lear, J.D.; Åkerfeldt, K.S. “Synthesis and Ion Conductance Behavior of a Tetrameric Alamethicin Ion Channel” Organic Letters 2002 4(10), 1647-1 649.
  • Berggård, T.; Miron, S.; Önnerfjord, P.; Thulin, E.; Åkerfeldt, K.S.; Enghild, J.J.; Akke, M.; Linse, S. “Calbindin D28k exhibits properties characteristic of a Ca2+ sensor” Journal of Biological Chemistry 2002 277, 16662-72.
  • S.G. Chou, D.T. Petkie, R.A.H. Butler, C.E. Miller, “Rotational spectroscopy of DNO3” J. Molec. Spectrosc. 211, 284-285 (2002)

2001

  • “Probing the Structure of Immobilized Metal Sites in Porous Organic Hosts by X-ray Absorption Spectroscopy.”Padden, K.M.; Krebs, J.F.; Trafford, K.T.,* Yap, G.P.A.; Rheingold, A.H.; Borovik, A.S.; Scarrow, R.C. Chem. Mater. 2001, 13, 4305-4313.
  • C.E. Miller, J.S. Francisco, “The formation of a surprisingly stable HO2-H2SO4 complex”, J. Am. Chem. Soc. 123, 10387-10388 (2001)
  • C.E. Miller, E.A. Cohen, “Rotational spectroscopy of 10 (XIIi)-I-2” J. Chem. Phys. 115, 6459-6470 (2001).
  • Factors that Determine the Unusually Low Reduction Potential of Cytochrome c550 in Cyanobacterial Photosystem II, J.S. Vrettos*, M.J. Reifler, O. Kievit, K.V. Lakshmi, J.C. de Paula, and G.W. Brudvig, Journal of Biological Inorganic Chemistry 6, 708-716 (2001).
  • Interactions of Copper(II) Porphyrins with DNA, R.F. Pasternack, E.J. Gibbs, P.J. Collings, J.C. de Paula, S. Ewen,* A. Rao,* A.S. Meyer,* M.A. Freedman,* M. Ranen,* and S. Frey,* Inorganica Chimica Acta 317, 59-71 (2001).
  • B.J. Douin, C.E. Miller, E.A. Cohen, G. Wagner, M. Birk, “Further investigations of the ClO rotational spectrum”, J. Molec. Spectrosc. 207, 4-9 (2001).
  • High-frequency EPR Study of a New Mononuclear Manganese(III) Complex: [(terpy)Mn(N3)3] (terpy = 2,2’:6’,2-Terpyridine), J. Limburg, J.S. Vrettos,* R.H. Crabtree, G.W. Brudvig, J.C. de Paula, A. Hassan, A.L. Barra, C. Duboc-Toia, and M.N. Collomb, Inorganic Chemistry 40, 1698-1703 (2001).
  • C.E. Miller, J.S. Francisco, “Symmetry breaking and the molecular structure of NO3+” J. Phys. Chem. A 105, 1662-1668 (2001).
  • “Immobilized Metal Complexes in Porous Organic Hosts: Development of a Material for the Selective and Reversible Binding of Nitric Oxide.”Padden, K.M.; Krebs, J.F.; MacBeth, C.E.; Scarrow, R.C.; Borovik, A.S. J. Am. Chem. Soc. 2001, 123, 1072-1079.
  • C.E. Miller, B.J. Drouin, “The X-1(2)Pi(3/2) and X-2(2)Pi(1/2) potential energy surfaces of FO” J. Molec. Spectrosc. 205, 312-318 (2001).
  • C.E. Miller, J.S. Francisco, “Proton affinity of peroxyacetyl nitrate (PBN)” J. Phys. Chem. A 105, 750-754 (2001)
  • Characterization of the O2-Evolving Reaction Catalyzed by [(terpy)2)(H2O)MnIII(O)2MnIV(OH2(terpy)](NO3)3 (terpy = 2,2’:6,2-terpyridine), J. Limburg, J.S. Vrettos*, H. Chen, J.C. de Paula, R.H. Crabtree, and G.W. Brudvig, Journal of the American Chemical Society 123, 423-430 (2001).
  • B.J. Drouin, C.E. Miller, J.S.P. Muller, E.A. Cohen, “The rotational spectra, and X-2 (2)Pi(1/2) states of BrO” J. Molec. Spectrosc. 205, 128-138 (2001)

2000

  • C.E. Miller, Y.L. Yung, “Photo-induced isotopic fractionation”, J. Geophys. Res.—Atmosphers 105, 29039-29051 (2000).
  • Berggård, T.; Thulin, E.; Åkerfeldt, K.S.; Linse, S. “Fragment Complementation of Calbindin D28k” Protein Science, 2000,9, 2094-2108.
  • T.V. Duncan* C.E. Miller, “The HCO2 potential energy surface: Stationary point energetics and the HOCO heat of formation” J. Chem. Phys. 113, 5138-5140 (2000).
  • “Porphobilinogen synthase from pea: expression from an artificial gene, kinetic characterization, and novel implications for subunit interactions.”Kervinen, J.; Dunbrack, R.L., Jr.; Litwin, S.; Martins, J.; Scarrow, R.C.; Volin, M.; Yeung, A.T.; Yoon, E.; Jaffe, E.K. Biochemistry 2000, 39, 9018-9029.
  • Aggregation Kinetics of Extended Porphyrin and Cyanine Dye Assemblies, R.F. Pasternack, C. Fleming,* S. Herring,* P.J. Collings, J.C. de Paula, G. DeCastro,* and E.J. Gibbs, Biophysical Journal 79, 550-560 (2000).