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  1. 1.   The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
  2. Lischka, Hans; Shepard, Ron; Müller, Thomas; Szalay, Péter G; Pitzer, Russell M; Aquino, Adelia J A; Araújo do Nascimento, Mayzza M; Barbatti, Mario; Belcher, Lachlan T; Blaudeau, Jean-Philippe; Borges, Itamar; Brozell, Scott R; Carter, Emily A; Das, Anita; Gidofalvi, Gergely; González, Leticia; Hase, William L; Kedziora, Gary; Kertesz, Miklos; Kossoski, Fábris; Machado, Francisco B C; Matsika, Spiridoula; do Monte, Silmar A; Nachtigallová, Dana; Nieman, Reed; Oppel, Markus; Parish, Carol A; Plasser, Felix; Spada, Rene F K; Stahlberg,Eric; Ventura, Elizete; Yarkony, David R; Zhang, Zhiyong
  3. The Journal of chemical physics. 2020, Apr 07; 152(13): 134110.
  1. 2.   Hybrid Correlation Energy (HyCE): An Approach Based on Separate Evaluations of Internal and External Components
  2. Ivanic, Joseph; Schmidt, Michael W.
  3. JOURNAL OF PHYSICAL CHEMISTRY A. 2018, Jun 14; 122(23): 5223-5237.
  1. 3.   A systematic multireference perturbation-theory study of the low-lying states of SiC3
  2. Rintelman, J. M.; Gordon, M. S.; Fletcher, G. D.; Ivanic, J.
  3. Journal of Chemical Physics. 2006, JAN 21; 124(3, Art. No. 034303):
  1. 4.   Chemistry of the diazeniumdiolates. O- versus N-alkylation of the RNH[N(O)NO](-) ion
  2. Saavedra, J. E.; Bohle, D. S.; Smith, K. N.; George, C.; Deschamps, J. R.; Parrish, D.; Ivanic, J.; Wang, Y. N.; Citro, M. L.; Keefer, L. K.
  3. Journal of the American Chemical Society. 2004, OCT 13; 126(40): 12880-12887.
  1. 5.   Theoretical study of the low lying electronic states of oxoX(salen) (X = Mn, Mn-, Fe, and Cr-) complexes
  2. Ivanic, J.; Collins, J. R.; Burt, S. K.
  3. Journal of Physical Chemistry A. 2004 108(12): 2314-2323.
  1. 6.   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. 7.   Theoretical studies on the hydrolysis of mono-phosphate and tri-phosphate in gas phase and aqueous solution
  2. Wang, Y. N.; Topol, I. A.; Collins, J. R.; Burt, S. K.
  3. Journal of the American Chemical Society. 2003 125(43): 13265-13273.
  1. 8.   Direct configuration interaction and multiconfigurational self- consistent-field method for multiple active spaces with variable occupations. II. Application to oxoMn(salen) and N2O4
  2. Ivanic, J.
  3. Journal of Chemical Physics. 2003 119(18): 9377-9385.
  1. 9.   DYNGA: a general purpose QM-MM-MD program. I. Application to water
  2. Parker, C. L.; Ventura, O. N.; Burt, S. K.; Cachau, R. E.
  3. Molecular Physics. 2003 101(17): 2659-2668.
  1. 10.   A new class of molecular shape descriptors. 1. theory and properties
  2. Mansfield, M. L.; Covell, D. G.; Jernigan, R. L.
  3. Journal of Chemical Information and Computer Sciences. 2002 42(2): 259-273.
  1. 11.   Density functional computational thermochemistry: Isomerization of sulfine and its enthalpy of formation
  2. Ventura, O. N.; Kieninger, M.; Denis, P. A.; Cachau, R. E.
  3. Journal of Physical Chemistry A. 2001 105(43): 9912-9916.
  1. 12.   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. 13.   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.
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