biblio

Found 9 results
Filters: Author is Krylov, Anna I.  [Clear All Filters]
2010
D. Ghosh, Kosenkov, D., Vanovschi, V., Williams, C. F., Herbert, J. M., Gordon, M. S., Schmidt, M. W., Slipchenko, L. V., and Krylov, A. I., “Non-covalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers”, Journal of Physical Chemistry A, vol. 114, no. 48, 2010.
2011
K. M. Solntsev, Ghosh, D., Amador, A., Josowicz, M., and Krylov, A. I., “Correction to what drives the redox properties of model green fluorescence protein chromophores?”, Journal of Physical Chemistry Letters, vol. 2, no. 21, pp. 2695–2695, 2011.
D. Ghosh, Isayev, O., Slipchenko, L. V., and Krylov, A. I., “Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk”, Journal of Physical Chemistry A, vol. 115, no. 23, pp. 6028-6038, 2011.
K. M. Solntsev, Ghosh, D., Amador, A., Josowicz, M., and Krylov, A. I., “What drives the redox properties of model green fluorescence protein chromophores?”, Journal of Physical Chemistry Letters, vol. 2, no. 21, 2011.
2012
D. Ghosh, Roy, A., Seidel, R., Winter, B., Bradforth, S., and Krylov, A. I., “First-principle protocol for calculating ionization energies and redox potentials of solvatedmolecules and ions: theory and application to aqueous phenol and phenolate”, Journal of Physical Chemistry B, vol. 116, no. 24, pp. 7269-7280, 2012.
D. Ghosh, Acharya, A., Tiwari, S. C., and Krylov, A. I., “Toward understanding the redox properties of model chromophores from the greenfluorescent protein family: an interplay between conjugation, resonance stabilization, and solvent effects”, Journal of Physical Chemistry B, vol. 116, no. 41, pp. 12398-12405, 2012.
D. Ghosh, Golan, A., Takahashi, L. K., Krylov, A. I., and Ahmed, M., “VUV Photoionization and Ab initio determination of the ionization energy of a gas-phasesugar (deoxyribose)”, Journal of Physical , vol. 3, no. 1, pp. 97-101, 2012.
2013
D. Ghosh, Kosenkov, D., Vanovschi, V., Flick, J., Kaliman, I., Shao, Y., Gilbert, A. T. B., Krylov, A. I., and Slipchenko, L. V., “Effective fragment potential method in Q-CHEM: a guide for users and developers”, Journal of Computational Chemistry, vol. 34, no. 12, pp. 1060-1070, 2013.
2016
P. Kumar Gurunathan, Acharya, A., Ghosh, D., Kosenkov, D., Kaliman, I., Shao, Y., Krylov, A. I., and Slipchenko, L. V., “Extension of the effective fragment potential method to macromolecules”, Journal of Physical Chemistry B, vol. 120, no. 27, pp. 6562-6574, 2016.