All Faculty and Research Staff Publications

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Czerwinski CJ, Guzei IA, Cordes TJ, Czerwinski KM, Mlodik NA. (eta(6)-2-Bromo-1,1 '-biphenyl)tricarbonylchromium. Acta Crystallographica Section C-Crystal Structure Communications. 2003 ;59:M499-M500.
Czerwinski CJ, Guzei IA, Riggle KM, Schroeder JR, Spencer LC. Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl. Dalton Transactions. 2011 ;40:9439-9446.
Czech KJ, Thompson BJ, Kain S, Ding Q, Shearer MJ, Hamers RJ, Jin S, Wright JC. Measurement of Ultrafast Excitonic Dynamics of Few-Layer MoS2 Using State-Selective Coherent Multidimensional Spectroscopy. Acs Nano. 2015 ;9:12146-12157.
Czaun M, Nelana SM, Guzei IA, Hasselgren C, Hakansson M, Jagner S, Lisensky G, Darkwa J, Nordlander E. An investigation of Cu(II) and Ni(II)-catalysed hydrolysis of (di)imines. Inorganica Chimica Acta. 2010 ;363:3102-3112.
Cutler JN, Sanders JH, John PJ, Gilbert PUPA, Gilbert B, Tan K. Chemical characterization of antiwear films generated by Tris- p-(perfluoroalkylether)phenyl phosphine using X-ray absorption spectroscopy. Wear. 1999 ;236:165-178.
Curtiss LA, Pochatko DJ, Reed AE, Weinhold F. INVESTIGATION OF THE DIFFERENCES IN STABILITY OF THE OC .. HF AND CO .. HF COMPLEXES. Journal of Chemical Physics. 1985 ;82:2679-2687.
Curtiss LA, Melendres CA, Reed AE, Weinhold F. THEORETICAL-STUDIES OF O-2(-)-(H2O)N CLUSTERS. Journal of Computational Chemistry. 1986 ;7:294-305.
Curro JG, Weinhold JD, McCoy JD, Yethiraj A. The structure of amorphous polymers near surfaces: athermal systems. Computational and Theoretical Polymer Science. 1998 ;8:159-168.
Cunningham R, Jany P, Messing A, Li LJ. Protein Changes in Immunodepleted Cerebrospinal Fluid from a Transgenic Mouse Model of Alexander Disease Detected Using Mass Spectrometry. Journal of Proteome Research. 2013 ;12:719-728.
Cunningham R, Wang JX, Wellner D, Li LJ. Investigation and reduction of sub-microgram peptide loss using molecular weight cut-off fractionation prior to mass spectrometric analysis. Journal of Mass Spectrometry. 2012 ;47:1327-1332.
Culpitt T, Guzei IA, Spencer LC, Simonson A, Miller JS, Wimmer MR, Nelson KJ. Synthesis, crystal structures, and characterization of 4,5-diaza-9- 4,5-bis(methylthio)-1,3-dithiol-2-ylidene -fluorene (L) metal complexes (TPyA)M-II(L) (SbF6)(2) (M-II = Mn, Fe, Co; TPyA = tris(2-pyridylmethyl) amine). Inorganica Chimica Acta. 2015 ;427:162-167.
Culp TD, Cederberg JG, Bieg B, Kuech TF, Bray KL, Pfeiffer D, Winter CH. Photoluminescence and free carrier interactions in erbium-doped GaAs. Journal of Applied Physics. 1998 ;83:4918-4927.
Culp TD, Hommerich U, Redwing JM, Kuech TF, Bray KL. Photoluminescence studies of erbium-doped GaAs under hydrostatic pressure. Journal of Applied Physics. 1997 ;82:368-374.
Cullin DW, Yu L, Williamson JM, Miller TA. HIGH-RESOLUTION SPECTROSCOPY OF JET-COOLED SUBSTITUTED CYCLOPENTADIENYL RADICALS. Journal of Physical Chemistry. 1992 ;96:89-94.
Cullin DW, Yu L, Williamson JM, Platz MS, Miller TA. REINVESTIGATION OF THE ELECTRONIC-SPECTRUM OF THE PHENYLNITRENE RADICAL. Journal of Physical Chemistry. 1990 ;94:3387-3391.
Cullen SP, Mandel IC, Gopalan P. Surface-Anchored Poly(2-vinyl-4,4-dimethyl azlactone) Brushes as Templates for Enzyme Immobilization. Langmuir. 2008 ;24:13701-13709.
Cullen SP, Ha S, Lagally MG, Gopalan P. Photopatternable substrate-independent poly(glycidyl methacrylate-ran-2-(acryloyloxy) ethyl 2-methylacrylate) polymer films for immobilization of biomolecules. Journal of Polymer Science Part a-Polymer Chemistry. 2008 ;46:5826-5838.
Cullen SP, Liu X, Mandel IC, Himpsel FJ, Gopalan P. Polymeric Brushes as Functional Templates for Immobilizing Ribonuclease A: Study of Binding Kinetics and Activity. Langmuir. 2008 ;24:913-920.
Culham DE, Shkel IA, Record MT, Wood JM. Contributions of Coulombic and Hofmeister Effects to the Osmotic Activation of Escherichia coli Transporter ProP. Biochemistry. 2016 ;55:1301-1313.
Cui Q, Karplus M. Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: Effect of geometry and tunneling on proton-transfer rate constants. Journal of the American Chemical Society. 2002 ;124:3093-3124.
Cui Q, Morokuma K. Ab initio molecular orbital studies on the structure, energies, and photodissociation of the electronic excited states of C2H. Journal of Chemical Physics. 1998 ;108:626-636.
Cui Q, Karplus M. Molecular properties from combined QM/MM methods. I. Analytical second derivative and vibrational calculations. Journal of Chemical Physics. 2000 ;112:1133-1149.
Cui Q, Musaev DG, Morokuma K. Molecular orbital study of the mechanism of platinum(0)-catalyzed alkene and alkyne diboration reactions. Organometallics. 1997 ;16:1355-1364.
Cui Q, Musaev DG, Svensson M, Morokuma K. Analytical second derivatives for effective core potential. Application to transition structures of Cp(2)Ru(2)(mu-H)(4) and to the mechanism of reaction Cu+Ch(2)N(2). Journal of Physical Chemistry. 1996 ;100:10936-10944.
Cui Q, Thorgersen MP, Westler WM, Markley JL, Downs DM. Solution structure of YggX: A prokaryotic protein involved in Fe(II) trafficking. Proteins Structure Function & Bioinformatics. 2006 ;62:578-586.
Cui Q, Musaev DG, Morokuma K. Molecular orbital study of H-2 and CH4 activation on small metal clusters. I. Pt, Pd, Pt-2, and Pd-2. Journal of Chemical Physics. 1998 ;108:8418-8428.
Cui Q, Karplus M. Molecular properties from combined QM/MM methods. 2. Chemical shifts in large molecules. Journal of Physical Chemistry B. 2000 ;104:3721-3743.
Cui Q, Li GH, Ma JP, Karplus M. A normal mode analysis of structural plasticity in the biomolecular motor F-1-ATPase. Journal of Molecular Biology. 2004 ;340:345-372.
Cui Q, Zhang LL, Wu Z, Yethiraj A. Generation and sensing of membrane curvature: Where materials science and biophysics meet. Current Opinion in Solid State & Materials Science. 2013 ;17:164-174.
Cui Q, Elstner M, Kaxiras E, Frauenheim T, Karplus M. A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method. Journal of Physical Chemistry B. 2001 ;105:569-585.
Cui Q, Karplus M. Quantum mechanical/molecular mechanical studies of the triosephosphate isomerase-catalyzed reaction: Verification of methodology and analysis of reaction mechanisms. Journal of Physical Chemistry B. 2002 ;106:1768-1798.
Cui Q, Morokuma K. Ab initio study on the mechanism of C2H2+NH3 reaction: Efficient charge transfer and proton transfer processes competing with stable complex formation. Journal of Chemical Physics. 1998 ;108:4021-4030.
Cui Q, Nussinov R. Making Biomolecular Simulations Accessible in the Post-Nobel Prize Era. Plos Computational Biology. 2014 ;10.
Cui Q, Musaev DG, Morokuma K. Molecular orbital study of H-2 and CH4 activation on small metal clusters. 2. Pd-3 and Pt-3. Journal of Physical Chemistry A. 1998 ;102:6373-6384.
Cui Q. Combining implicit solvation models with hybrid quantum mechanical/molecular mechanical methods: A critical test with glycine. Journal of Chemical Physics. 2002 ;117:4720-4728.
Cui Q, Hernandez R, Mason SE, Frauenheim T, Pedersen JA, Geiger F. Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies. Journal of Physical Chemistry B. 2016 ;120:7297-7306.
Cui Q, Karplus M. Triosephosphate isomerase: A theoretical comparison of alternative pathways. Journal of the American Chemical Society. 2001 ;123:2284-2290.
Cui Q, Morokuma K. The spin-forbidden reaction CH((2)Pi)+N-2 -> HCN+N(S-4) revisited I. Ab initio study of the potential energy surfaces. Theoretical Chemistry Accounts. 1999 ;102:127-133.
Cui Q, Karplus M. Allostery and cooperativity revisited. Protein Science. 2008 ;17:1295-1307.
Cui Q, Karplus M. Promoting modes and demoting modes in enzyme-catalyzed proton transfer reactions: A study of models and realistic systems [Review]. Journal of Physical Chemistry B. 2002 ;106:7927-7947.
Cui Q, Morokuma K. Ab initio studies on the electronic excited states and photodissociation of O-3 anion. Journal of Chemical Physics. 1998 ;108:7684-7694.
Cui Q, Karplus M. Is a "proton wire" concerted or stepwise? A model study of proton transfer in carbonic anhydrase. Journal of Physical Chemistry B. 2003 ;107:1071-1078.
Cui Q, Elstner M, Karplus M. A theoretical analysis of the proton and hydride transfer in liver alcohol dehydrogenase (LADH). Journal of Physical Chemistry B. 2002 ;106:2721-2740.
Cui Q, Morokuma K. Ab initio MO studies on the photodissociation of C2H2 from the S-1((1)A(u)) state .2. Mechanism involving triplet states. Chemical Physics Letters. 1997 ;272:319-327.
Cui Q, Morokuma K. Ab initio MO studies on the photodissociation of the methoxy family CX(3)Y (X=H,F; Y=O,S) from the (A)over-tilda(2)A(1) state. Chemical Physics Letters. 1996 ;263:54-62.
Cui Q, Morokuma K, Bowman JM, Klippenstein SJ. The spin-forbidden reaction CH((2)Pi)+N-2 -> HCN+N(S-4) revisited. II. Nonadiabatic transition state theory and application. Journal of Chemical Physics. 1999 ;110:9469-9482.
Cui Q. Perspective: Quantum mechanical methods in biochemistry and biophysics. Journal of Chemical Physics. 2016 ;145.
Cui Q, Musaev DG, Svensson M, Sieber S, Morokuma K. N-2 CLEAVAGE BY 3-COORDINATE GROUP-6 COMPLEXES - W(III) COMPLEXES WOULD-BE BETTER THAN MO(III) COMPLEXES. Journal of the American Chemical Society. 1995 ;117:12366-12367.
Cui Y, Melby ES, Mensch AC, Laudadio ED, Hang MMN, Dohnalkova A, Hu DH, Hamers RJ, Orr G. Quantitative Mapping of Oxidative Stress Response to Lithium Cobalt Oxide Nanoparticles in Single Cells Using Multiplexed in Situ Gene Expression Analysis. Nano Letters. 2019 ;19:1990-1997.
Cui Q. Theoretical and computational studies of vectorial processes in biomolecular systems. Theoretical Chemistry Accounts. 2006 ;116:51.

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