All Faculty and Research Staff Publications

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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, 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 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, 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, 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, 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 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, Musaev DG, Morokuma K. Why do Pt(PR3)(2) complexes catalyze the alkyne diboration reaction, but their palladium analogues do not? A density functional study. Organometallics. 1998 ;17:742-751.
Cueny ES, Johnson HC, Landis CR. Selective Quench-Labeling of the Hafnium-Pyridyl Amido-Catalyzed Polymerization of 1-Octene in the Presence of Trialkyl-Aluminum Chain-Transfer Reagents. ACS Catalysis. 2018 ;8:11605-11614.
Cueny ES, Johnson HC, Anding BJ, Landis CR. Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods. Journal of the American Chemical Society. 2017 ;139:11903-11912.
Cueny ES, Landis CR. The Hafnium-Pyridyl Amido-Catalyzed Copolymerization of Ethene and 1-Octene: How Small Amounts of Ethene Impact Catalysis. ACS Catalysis. 2019 ;9:3338-3348.
Cueny ES, Landis CR. Zinc-Mediated Chain Transfer from Hafnium to Aluminum in the Hafnium-Pyridyl Amido-Catalyzed Polymerization of 1-Octene Revealed by Job Plot Analysis. Organometallics. 2019 ;38:926-932.
Cuchillo CM, Victoria Nogues M, Raines RT. Bovine Pancreatic Ribonuclease: Fifty Years of the First Enzymatic Reaction Mechanism. Biochemistry. 2011 ;50:7835-7841.
Crowther AC, Carrier SL, Preston TJ, Crim FF. Time-Resolved Studies of CN Radical Reactions and the Role of Complexes in Solution. Journal of Physical Chemistry A. 2008 ;112:12081-12089.
Crowther AC, Carrier SL, Preston TJ, Crim FF. Time-Resolved Studies of the Reactions of CN Radical Complexes with Alkanes, Alcohols, and Chloroalkanes. Journal of Physical Chemistry A. 2009 ;113:3758-3764.
Crowe SO, Pham GH, Ziegler JC, Deol KK, Guenette RG, Ge Y, Strieter ER. Subunit-Specific Labeling of Ubiquitin Chains by Using Sortase: Insights into the Selectivity of Deubiquitinases. Chembiochem. 2016 ;17:1525-1531.
Crowe SO, Rana A, Deol KK, Ge Y, Strieter ER. Ubiquitin Chain Enrichment Middle-Down Mass Spectrometry Enables Characterization of Branched Ubiquitin Chains in CellulO. Analytical Chemistry. 2017 ;89:4428-4434.
Crooks JA, Stilwell MD, Oliver PM, Zhong Z, Weibel DB. Decoding the Chemical Language of Motile Bacteria by Using High-Throughput Microfluidic Assays. Chembiochem. 2015 ;16:2151-2155.
Croisant MF, Van Hoveln R, Schomaker JM. Formal Dyotropic Rearrangements in Organometallic Transformations. European Journal of Organic Chemistry. 2015 :5897-5907.
Crisp TA, Brady JM, Cappa CD, Collier S, Forestieri SD, Kleeman MJ, Kuwayama T, Lerner BM, Williams EJ, Zhang Q, et al. On the primary emission of formic acid from light duty gasoline vehicles and ocean-going vessels. Atmospheric Environment. 2014 ;98:426-433.
Crisp TA, Lerner BM, Williams EJ, Quinn PK, Bates TS, Bertram TH. Observations of gas phase hydrochloric acid in the polluted marine boundary layer. Journal of Geophysical Research-Atmospheres. 2014 ;119:6897-6915.
Crim FF. Vibrationally mediated photodissociation - exploring excited-state surfaces and controlling decomposition pathways. Annual Review of Physical Chemistry. 1993 ;44:397-428.
Crim FF. Selective excitation studies of unimolecular reaction dynamics. Annual Review of Physical Chemistry. 1984 ;35:657-691.
Crim FF. Chemical dynamics of vibrationally excited molecules: Controlling reactions in gases and on surfaces. Proceedings of the National Academy of Sciences of the United States of America. 2008 ;105:12654-12661.
Crim FF. Making energy count. Science. 2007 ;316:1707-1708.
Crim FF, Kwei GH, Kinsey JL. IR LASER-INDUCED IONIZATION IN SF6-HYDROCARBON MIXTURES. Chemical Physics Letters. 1977 ;49:526-529.
Crim FF. Surrounded by complications. Nature Chemistry. 2011 ;3:344-345.
Crim FF, Bente HB, Fisk GA. INELASTIC-SCATTERING OF VIBRATIONALLY EXCITED POTASSIUM BROMIDE BY POLYATOMIC PARTNERS. Journal of Physical Chemistry. 1974 ;78:2438-2442.
Crim FF. Vibrational state control of bimolecular reactions: Discovering and directing the chemistry. Accounts of Chemical Research. 1999 ;32:877-884.
Crim FF, Chou MS, Fisk GA. Inelastic scattering of vibrationally excited KBr by small nonpolar and essentially nonpolar partners. Chemical Physics. 1973 ;2:283-292.
Crim FF. Molecular reaction dynamics across the phases: similarities and differences. Faraday Discussions. 2012 ;157:9-26.
Crim FF. Chemistry - Close encounters. Science. 2001 ;293:2014-2015.
Crim FF. Bond-selected chemistry: Vibrational state control of photodissociation and bimolecular reaction. Journal of Physical Chemistry. 1996 ;100:12725-12734.
Crim FF, Hsiao MC, Scott JL, Sinha A, Vanderwal RL. STATE-SELECTED AND BOND-SELECTED PHOTODISSOCIATION AND BIMOLECULAR REACTION OF WATER. Philosophical Transactions of the Royal Society of London Series a-Mathematical Physical and Engineering Sciences. 1990 ;332:259-272.
Crim FF. State-selected and bond-selected unimolecular reactions. Science. 1990 ;249:1387-1392.
Crim FF. Chemical reaction dynamics. Proceedings of the National Academy of Sciences of the United States of America. 2008 ;105:12647-12648.
Cricenti A, Gilbert PUPA, Generosi R, Perfetti P, Ciotti MT, Mercanti D. ATOMIC-FORCE MICROSCOPY OF NEURON NETWORKS. Scanning Microscopy. 1995 ;9:695-700.
Cricenti A, Gilbert PUPA, Generosi R, Scarselli MA, Perfetti P, Ciotti MT, Mercanti D. Atomic force microscopy observation of native neurons and modifications induced by glutamate. Journal of Vacuum Science & Technology B. 1996 ;14:1395-1398.
Cricenti A, Gilbert PUPA, Generosi R, Scarselli MA, Perfetti P, Ciotti MT, Mercanti D, Casalbore P, Margaritondo G. Native and modified uncoated neurons observed by atomic force microscopy. Journal of Vacuum Science & Technology A. 1996 ;14:1741-1746.
Crevier TJ, Lovell S, Mayer JM, Rheingold AL, Guzei IA. Chalcogen atom transfer to a metal nitrido. The first transition metal selenonitrosyl complex. Journal of the American Chemical Society. 1998 ;120:6607-6608.
Crawford DJ, Hoskins AA, Friedman LJ, Gelles J, Moore MJ. Visualizing the splicing of single pre-mRNA molecules in whole cell extract. RNA. 2008 ;14:170-179.
Crawford DJ, Hoskins AA, Friedman LJ, Gelles J, Moore MJ. Single-molecule colocalization FRET evidence that spliceosome activation precedes stable approach of 5 ' splice site and branch site. Proceedings of the National Academy of Sciences of the United States of America. 2013 ;110:6783-6788.
Crapster JA, Guzei IA, Blackwell HE. A Peptoid Ribbon Secondary Structure. Angewandte Chemie-International Edition. 2013 ;52:5079-5084.
Crapster AJ, Stringer JR, Guzei IA, Blackwell HE. Design and Conformational Analysis of Peptoids Containing N-Hydroxy Amides Reveals a Unique Sheet-Like Secondary Structure. Biopolymers. 2011 ;96:604-616.
Cram DJ, Hornby RB, Truesdal.Ea, Reich HJ, Delton MH, Cram JM. RIGID CYCLOPHANES THAT ILLUSTRATE STEREOCHEMICAL PRINCIPLES. Tetrahedron. 1974 ;30:1757-1768.
Craig ML, Record MT. EFFECTS OF SEQUENCE VARIATIONS IN THE -10 HEXAMER ON THE STRUCTURES OF OPEN COMPLEXES BETWEEN ESCHERICHIA-COLI E-DELTA-70 RNA-POLYMERASE AND A SYNTHETIC PROMOTER. Biophysical Journal. 1994 ;66:A372-A372.
Craig ML, Suh WC, Record MT. HO-CENTER-DOT AND DNASE-I PROBING OF E-SIGMA(70) RNA POLYMERASE-LAMBDA-P-R PROMOTER OPEN COMPLEXES - MG2+ BINDING AND ITS STRUCTURAL CONSEQUENCES AT THE TRANSCRIPTION START SITE. Biochemistry. 1995 ;34:15624-15632.
Craig ML, Tsodikov OV, McQuade KL, Schlax PE, Capp MW, Saecker RM, Record MT. DNA footprints of the two kinetically significant intermediates in formation of an RNA polymerase-promoter open complex: Evidence that interactions with start site and downstream DNA induce sequential conformational changes in polymerase and DNA. Journal of Molecular Biology. 1998 ;283:741-756.

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