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“Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method”, Journal of Chemical Physics, vol. 140, no. 9, p. 094101, 2014.
, “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.
, “Hybrid equation-of-motion coupled-cluster/effective fragment potential method: a route toward understanding photoprocesses in the condensed phase”, Journal of Physical Chemistry A, vol. 121, no. 4, pp. 741-752, 2017.
, “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.
, “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.
, “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.
, “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.
, “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.
, “Orbital optimization in the density matrix renormalization group, with applications to polyenes and ss-carotene”, Journal of Chemical Physics, vol. 128, no. 14, 2008.
, “Multiscale modelling: hybrid quantum mechanics/molecular mechanics as an example and some recent developments”, Current Science, vol. 112 , no. 7 , pp. 1455-1462, 2017.
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