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  1. 1.   Synergistic TRAIL Sensitizers from Barleria alluaudii and Diospyros maritima
  2. Whitson, E. L.; Sun, H.; Thomas, C. L.; Henrich, C. J.; Sayers, T. J.; McMahon, J. B.; Griesinger, C.; McKee, T. C.
  3. Journal of Natural Products. 2012, Mar; 75(3): 394-399.
  1. 2.   Arylation of Sensitive 1-(Pyrrolidin-1-yl)-diazen-1-ium-diolate in Ionic Liquids
  2. Velazquez, C. A.; Lynn, G. M.; Kumar, V.; Keefer, L. K.; Malhotra, S. V.
  3. Synthetic Communications. 2010, Apr 7; 40(9): 1322-1332.
  1. 3.   Comparison of Nine Programs Predicting pK(a) Values of Pharmaceutical Substances
  2. Liao, C. Z.; Nicklaus, M. C.
  3. Journal of Chemical Information and Modeling. 2009, Dec; 49(12): 2801-2812.
  1. 4.   A new perspective in the Lewis acid catalyzed ring opening of epoxides. Theoretical study of some complexes of methanol, acetic acid, dimethyl ether, diethyl ether, and ethylene oxide with boron trifluoride
  2. Saenz, P.; Cachau, R. E.; Seoane, G.; Kieninger, M.; Ventura, O. N.
  3. Journal of Physical Chemistry A. 2006, Oct; 110(41): 11734-11751.
  1. 5.   Ab initio electronic structure theory as an aid to understanding excited state hydrogen transfer in moderate to large systems
  2. Webb, S. P.
  3. Theoretical Chemistry Accounts. 2006, Aug; 116(1-3): 355-372.
  1. 6.   Electronic excitations of the chromophore from the fluorescent protein asFP595 in solutions
  2. Nemukhin, A. V.; Topol, I. A.; Burt, S. K.
  3. Journal of Chemical Theory and Computation. 2006, Mar-Apr; 2(2): 292-299.
  1. 7.   E/Z conformation and the vibrational spectroscopy of Me2NN(O)=NOMe
  2. Bohle, D. S.; Ivanic, J.; Saavedra, J. E.; Smith, K. N.; Wang, Y. N.
  3. Journal of Physical Chemistry A. 2005, DEC 15; 109(49): 11317-11321.
  1. 8.   Structure, stability, and NMR properties of lower fullerenes C-38-C-50 and azafullerene C44N6
  2. Sun, G. Y.; Nicklaus, M. C.; Xie, R. H.
  3. Journal of Physical Chemistry A. 2005, MAY 26; 109(20): 4617-4622.
  1. 9.   The application of the effective fragment potential method to molecular anion solvation: A study of ten oxyanion-water clusters, A(-)(H2O)(1-4)
  2. Merrill, G. N.; Webb, S. P.
  3. Journal of Physical Chemistry A. 2004 108(5): 833-839.
  1. 10.   Tuning spectral properties of fullerenes by substitutional doping
  2. Xie, R. H.; Bryant, G. W.; Sun, G. Y.; Kar, T.; Chen, Z. F.; Smith, V. H.; Araki, Y.; Tagmatarchis, N.; Shinohara, H.; Ito, O.
  3. Physical Review B. 2004 69(20, Art. No. 201403):
  1. 11.   Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. 1. C-60, C59N+, and C48N12: Theory and experiment
  2. Xie, R. H.; Bryant, G. W.; Sun, G. Y.; Nicklaus, M. C.; Heringer, D.; Frauenheim, T.; Manaa, M. R.; Smith, V. H.; Araki, Y.; Ito, O.
  3. Journal of Chemical Physics. 2004 120(11): 5133-5147.
  1. 12.   Theoretical C-13 NMR chemical shifts of the stable isomers of fullerene C-90
  2. Sun, G. Y.
  3. Chemical Physics. 2003 289(2-3): 371-380.
  1. 13.   Assigning the major isomers of fullerene C-88 by theoretical C- 13 NMR spectra
  2. Sun, G. Y.
  3. Chemical Physics Letters. 2003 367(1-2): 26-33.
  1. 14.   (Salen)Mn(III)-catalyzed epoxidation reaction as a multichannel process with different spin states. Electronic tuning of asymmetric catalysis: A theoretical study
  2. Abashkin, Y. G.; Collins, J. R.; Burt, S. K.
  3. Inorganic Chemistry. 2001 40(16): 4040-4048.
  1. 15.   Does the interconversion of polysulfur compounds proceed via hypervalent intermediates? - An ab initio MO study
  2. Steudel, R.; Steudel, Y.; Miaskiewicz, K.
  3. Chemistry-a European Journal. 2001 7(15): 3281-3290.
  1. 16.   Interactions of azodicarbonamide (ADA) species with the model zinc finger site: Theoretical support of the zinc finger domain destruction in the HIV-1 nucleocapsid protein (NCp7) by ADA
  2. Topol, I. A.; Nemukhin, A. V.; Dobrogorskaya, Y. I.; Burt, S. K.
  3. Journal of Physical Chemistry B. 2001 105(45): 11341-11350.
  1. 17.   Acidity of organic molecules in the gas phase and in aqueous solvent
  2. Topol, I. A.; Tawa, G. J.; Caldwell, R. A.; Eissenstat, M. A.; Burt, S. K.
  3. Journal of Physical Chemistry A. 2000 104(42): 9619-9624.
  1. 18.   Quantum chemical studies of reactions of the cyclic disulfides with the zinc finger domains in the HIV-1 nucleocapsid protein (NCp7)
  2. Topol, I. A.; Nemukhin, A. V.; Chao, M.; Iyer, L. K.; Tawa, G. J.; Burt, S. K.
  3. Journal of the American Chemical Society. 2000 122(29): 7087-7094.
  1. 19.   Calculation of substituent effects on pK(a) values for pyrone and dihydropyrone inhibitors of HIV-1 protease
  2. Topol, I. A.; Burt, S. K.; Rashin, A. A.; Erickson, J. W.
  3. Journal of Physical Chemistry. 2000 104(4): 866-872.
  1. 20.   Computational studies of the domain movement and the catalytic mechanism of thymidine phosphorylase
  2. Rick, S. W.; Abashkin, Y. G.; Hilderbrandt, R. L.; Burt, S. K.
  3. Proteins. 1999 37(2): 242-252.
  1. 21.   On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model
  2. Topol, I. A.; Tawa, G. J.; Burt, S. K.; Rashin, A. A.
  3. Journal of Chemical Physics. 1999 111(24): 10998-11014.
  1. 22.   Calculation of the Aqueous Solvation Free Energy of the Proton
  2. Tawa, G. J.; Topol, I. A.; Burt, S. K.; Caldwell, R. A.; Rashin, A. A.
  3. Journal of Chemical Physics. 1998 109(12): 4852-4863.
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