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“Conformational modulation of Ant-Pro oligomers using chirality alteration of proline residues”, Organic & Biomolecular Chemistry, vol. 10, no. 42, pp. 8426-8433, 2012.
, “Electron attachment to DNA and RNA nucleobases: an EOMCC investigation”, International Journal of Quantum Chemistry, vol. 115, no. 12, pp. 753-764, 2015.
, “Electron detachment and subsequent structural changes of water clusters”, Journal of Physical Chemistry A, vol. 120, no. 7, pp. 1065-1073, 2016.
, “EOMIP-CCSD(2)*: an efficient method for the calculation of ionization potentials”, Journal of Chemical Theory and Computation, vol. 11, no. 6, pp. 2461-2472, 2015.
, “Excited state geometry optimisation using fock-space multi-reference coupled cluster method”, Molecular Physics, vol. 112, no. 22, pp. 2884-2891, 2014.
, “Extended coupled cluster for Raman and infrared spectra of small molecules”, Chemical Physics, vol. 403, pp. 25-32, 2012.
, “Ground state of naphthyl cation: singlet or triplet?”, Journal of Chemical Physics, vol. 140, no. 11, p. 114312, 2014.
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“Intermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra”, Journal of Chemical Theory and Computation, vol. 10, no. 9, pp. 3656-3668, 2014.
, “Lower scaling approximation to EOM-CCSD: a critical assessment of the ionization problem”, International Journal of Quantum Chemistry, vol. 118, no. 14, p. e25594, 2018.
, “New scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples”, Journal of Chemical Physics, vol. 142, no. 4, p. Article No. 044113, 2015.
, “NOx catalyzed pathway of stratospheric ozone depletion: a coupled cluster investigation”, Journal of Chemical Theory and Computation, vol. 8, no. 6, pp. 1895-1901, 2012.
, “Partitioned EOMEA-MBPT(2): an efficient N-5 scaling method for calculation of electron affinities”, Journal of Chemical Theory and Computation, vol. 10, no. 5, pp. 1923-1933, 2014.
, “Performance of the EOMIP-CCSD(2) method for determining the structure and properties of doublet radicals: a benchmark investigation”, Journal of Chemical Theory and Computation, vol. 9, no. 10, pp. 4313-4331, 2013.
, “Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods”, Journal of Chemical Physics, vol. 139, no. 12, p. 124116, 2013.
, “Perturbative order analysis of the similarity transformed hamiltonian in fock-space coupled cluster theory: difference energy and electric response properties”, Molecular Physics, vol. 113, no. 13-14, pp. 2046-2060, 2015.
, “Resolution of the identity and cholesky representation of EOM-MP2 approximation: implementation, accuracy and efficiency”, Journal of Chemical Sciences, vol. 129, no. 10, pp. 1611-1626, 2017.
, “Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation”, Journal of Physical Chemistry A, vol. 118, no. 8, pp. 1350-1362, 2014.
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