All Department Publications

Found 6137 results
Author [ Title(Desc)] Type Year
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A
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. 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.
Liu RF, Cui Q, Dunn KM, Morokuma K. Ab initio molecular orbital study of the mechanism of photodissociation of trans-azomethane. Journal of Chemical Physics. 1996;105:2333-2345.
Kaledin AL, Heaven MC, Lawrence WG, Cui Q, Stevens JE, Morokuma K. Ab initio molecular-orbital study of the trichlorine radical, Cl-3. Journal of Chemical Physics. 1998;108:2771-2783.
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, Morokuma K. Ab initio study of nonadiabatic interactions in the photodissociation of ketene. Journal of Chemical Physics. 1997;107:4951-4959.
Stevens JE, Cui Q, Morokuma K. An ab initio study of the dissociation of HNCO in the S-1 electronic state. Journal of Chemical Physics. 1998;108:1452-1458.
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.
Kaledin AL, Cui Q, Heaven MC, Morokuma K. Ab initio theoretical studies on photodissociation of HNCO upon S-1((1)A '')<- S-0((1)A(')) excitation: The role of internal conversion and intersystem crossing. Journal of Chemical Physics. 1999;111:5004-5016.
Shoulders MD, Kotch FW, Choudhary A, Guzei IA, Raines RT. The Aberrance of the 4S Diastereomer of 4-Hydroxyproline. Journal of the American Chemical Society. 2010;132:10857-10865.
Trudeau JD, Schwartz JL, Farrar TC. ABINITIO CALCULATIONS AND EXPERIMENTAL-MEASUREMENT OF THE DEUTERIUM QUADRUPOLE COUPLING-CONSTANT IN NA2PDO3. Journal of Physical Chemistry. 1991;95:9788-9791.
Farrar TC, Trudeau JD. ABINITIO CALCULATIONS OF CHEMICAL-SHIFT AND QUADRUPOLE COUPLING TENSORS IN PHO32. Journal of Physical Chemistry. 1990;94:6277-6282.
Edison AS, Markley JL, Weinhold F. AB-INITIO CALCULATIONS OF PROTIUM DEUTERIUM FRACTIONATION FACTORS IN O2H5+ CLUSTERS. Journal of Physical Chemistry. 1995;99:8013-8016.
Peterson KA, Woods RC. AN ABINITIO INVESTIGATION OF THE SPECTROSCOPIC PROPERTIES OF BCL, CS, CCL+, BF, CO, CF+, N2, CN-, AND NO+. Journal of Chemical Physics. 1987;87:4409-4418.
Peterson KA, Woods RC. AN ABINITIO INVESTIGATION OF THE SPECTROSCOPIC PROPERTIES OF CLF, ARF+, SF-, AND CLO- IN THEIR GROUND ELECTRONIC STATES. Journal of Chemical Physics. 1990;92:7412-7417.
Peterson KA, Woods RC. AN ABINITIO STUDY OF THE 24 ELECTRON RADICALS PF, SO, NCL, SF+, CLO+, SIF-, PO-, NS-, AND CCL- IN THEIR X3SIGMA- ELECTRONIC STATES. Journal of Chemical Physics. 1990;93:1876-1888.
Moore JW. ABOUT THIS ISSUE - THE PERIODIC-TABLE CD. Journal of Chemical Education. 1995;72:409-410.
Moore JW, Holmes JL. ABOUT THIS ISSUE - TITRATION TECHNIQUES. Journal of Chemical Education. 1995;72:613-613.
Hanton SD, Sanders L, Weisshaar JC. ABSENCE OF SPIN ORBIT EFFECTS ON V+(A3FJ)+C2H6 REACTION CROSS-SECTION AT 0.2 EV. Journal of Physical Chemistry. 1989;93:1963-1969.
Sturm R, Sheynkman G, Booth C, Smith LM, Pedersen JA, Li L. Absolute quantification of prion protein (90-231) using stable isotope-labeled chymotryptic peptide standards in a LC-MRM AQUA workflow. J Am Soc Mass Spectrom. 2012;23(9):1522-33.
Carlson RJ, Wright JC. Absorption and Coherent Interference Effects in Multiply Resonant Four-Wave Mixing Spectroscopy. Applied Spectroscopy. 1989;43:1195-1208.
Brunold TC, Hauser A, Gudel HU. ABSORPTION AND LUMINESCENCE SPECTROSCOPY OF FERRATE(VI) DOPED INTO CRYSTALS OF K2MO4 (M=S, SE, CR, MO). Journal of Luminescence. 1994;59:321-332.
Brunold TC, Gudel HU. Absorption and luminescence spectroscopy of manganese-doped BaSO4 crystals. Chemical Physics Letters. 1996;257:123-129.
Brunold TC, Gudel HU. Absorption and luminescence spectroscopy of MnO42--doped crystals of BaSO4. Inorganic Chemistry. 1997;36:1946-1954.
Brunold TC, Gudel HU, Cavalli E. Absorption and luminescence spectroscopy of Zn2SiO4 willemite crystals doped with Co2+. Chemical Physics Letters. 1996;252:112-120.
Egorov SA, Stephens MD, Skinner JL. Absorption line shapes and solvation dynamics of CH3I in supercritical Ar. Journal of Chemical Physics. 1997;107:10485-10491.
Lynn DM, Anderson DG, Putnam D, Langer R. Accelerated discovery of synthetic transfection vectors: parallel synthesis and screening of a degradable polymer library. J Am Chem Soc. 2001;123(33):8155-6.
Zhang JH, Kissounko DA, Lee SE, Gellman SH, Stahl SS. Access to Poly-beta-Peptides with Functionalized Side Chains and End Groups via Controlled Ring-Opening Polymerization of beta-Lactams. Journal of the American Chemical Society. 2009;131:1589-1597.
Bonvallet PA, Todd EM, Kim YS, McMahon RJ. Access to the naphthylcarbene rearrangement manifold via isomeric benzodiazocycloheptatrienes. Journal of Organic Chemistry. 2002;67:9031-9042.
Bonvallet PA, Todd EM, Kim YS, McMahon RJ. Access to the Naphthylcarbene Rearrangement Manifold via Isomeric Benzodiazocycloheptatrienes. The Journal of Organic Chemistry [Internet]. 2002;67:9031-9042. Available from: http://pubs.acs.org/doi/abs/10.1021/jo020304z
Ischay MA, Yoon TP. Accessing the Synthetic Chemistry of Radical Ions. European Journal of Organic Chemistry. 2012:3359-3372.
Park JS, Lee HS, Lai JR, Kim BM, Gellman SH. Accommodation of alpha-substituted residues in the beta-peptide 12-helix: Expanding the range of substitution patterns available to a foldamer scaffold. Journal of the American Chemical Society. 2003;125:8539-8545.
Park J-S, Lee H-S, Lai JR, Kim BM, Gellman SH. Accommodation of alpha-substituted residues in the beta-peptide 12-helix: expanding the range of substitution patterns available to a foldamer scaffold. J Am Chem Soc. 2003;125(28):8539-45.
Mateljevic N, Kerwin J, Roy S, Schmidt JR, Tully JC. Accommodation of Gases at Rough Surfaces. Journal of Physical Chemistry C. 2009;113:2360-2367.
Cayley S, Record MT, Lewis BA. ACCUMULATION OF 3-(N-MORPHOLINO)PROPANESULFONATE BY OSMOTICALLY STRESSED ESCHERICHIA-COLI K-12. Journal of Bacteriology. 1989;171:3597-3602.
Petillo PA, Defelippis J, Nelsen SF. ACCURATE DETERMINATION OF SMALL SPLITTING CONSTANTS FOR ORGANIC RADICALS BY NMR. Journal of Organic Chemistry. 1991;56:6496-6497.
Loo JF, Krahling MD, Farrar TC. ACCURATE ION ABUNDANCE MEASUREMENTS IN ION-CYCLOTRON RESONANCE MASS-SPECTROMETRY BY LINEAR PREDICTION. Rapid Communications in Mass Spectrometry. 1990;4:297-299.
Burleigh DC, McCoy AB, Sibert EL. An accurate quartic force field for formaldehyde. Journal of Chemical Physics. 1996;104:480-487.
Hansen DF, Westler WM, Kunze MBA, Markley JL, Weinhold F, Led JJ. Accurate Structure and Dynamics of the Metal-Site of Paramagnetic Metalloproteins from NMR Parameters Using Natural Bond Orbitals. Journal of the American Chemical Society. 2012;134:4670-4682.
Casey CP, Tukada H, Miles WH. ACETAL AND KETAL DERIVATIVES RELATED TO METAL FORMYL AND METAL ACYL COMPLEXES. Organometallics. 1982;1:1083-1084.
Connelly NG, Dahl LF. ACETONITRILECARBONYL AND ACETONITRILENITROSYL METAL CATIONS FROM REACTIONS OF NITROSONIUM ION, NO+, WITH TRANSITION-METAL ORGANOMETALLICS IN ACETONITRILE. Journal of the Chemical Society D-Chemical Communications. 1970:880-&.
Gardner RR, Liang GB, Gellman SH. AN ACHIRAL DIPEPTIDE MIMETIC THAT PROMOTES BETA-HAIRPIN FORMATION. Journal of the American Chemical Society. 1995;117:3280-3281.
Casey CP, Yi CS. ACID-CATALYZED ISOMERIZATION AND DEUTERIUM-EXCHANGE OF RHENIUM ALKENE COMPLEXES VIA IN-PLACE ROTATION OF AN AGOSTIC ALKYLRHENIUM CATION. Organometallics. 1991;10:33-35.
Casey CP, Brady JT. Acid-catalyzed isomerization of rhenium alkyne complexes to rhenium allene complexes via 1-metallacyclopropene intermediates. Organometallics. 1998;17:4620-4629.
Casey CP, Gable KP, Roddick DM. ACID-CATALYZED TRANS TO CIS ISOMERIZATION OF C5H5(CO)FE 2(MU-CO)(MU-CH2). Organometallics. 1990;9:221-226.
Nelsen SF, Buschek JM, Gobl M, Asmus KD. ACIDITY OF 2 DIALKYLHYDRAZINE RADICAL CATIONS. Journal of the Chemical Society-Perkin Transactions 2. 1984:11-14.
Zhao L-X, Huang S-X, Tang S-K, Jiang C-L, Duan Y, Beutler JA, Henrich CJ, McMahon JB, Schmid T, Blees JS, et al. Actinopolysporins A-C and Tubercidin as a Pdcd4 Stabilizer from the Halophilic Actinomycete Actinopolyspora erythraea YIM 90600. Journal of Natural Products. 2011;74:1990-1995.
Hutchison MJ, Holiday RJ, Bach A, Hsieh S, Crim FF. Action Spectroscopy and Photodissociation of Vibrationally Excited Methanol†. The Journal of Physical Chemistry A [Internet]. 2004;108:8115-8118. Available from: http://pubs.acs.org/doi/abs/10.1021/jp049074d
Horn DM, Ge Y, McLafferty FW. Activated ion electron capture dissociation for mass spectral sequencing of larger (42 kDa) proteins. Analytical Chemistry. 2000;72:4778-4784.
Ledvina AR, Beauchene NA, McAlister GC, Syka JEP, Schwartz JC, Griep-Raming J, Westphall MS, Coon JJ. Activated-Ion Electron Transfer Dissociation Improves the Ability of Electron Transfer Dissociation to Identify Peptides in a Complex Mixture. Analytical Chemistry. 2010;82:10068-10074.

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