2016 journal article

Electronic absorption spectra of tetrapyrrole-based pigments via TD-DFT: A reduced orbital space study

Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, 120(29), 5816–5825.

By: K. Shrestha, K. Virgil & E. Jakubikova

Source: NC State University Libraries
Added: August 6, 2018

2015 journal article

Ground-state electronic structure of RC-LH1 and LH2 pigment assemblies of purple bacteria via the EBF-MO method

Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, 119(33), 8934–8943.

By: K. Shrestha & E. Jakubikova

Source: NC State University Libraries
Added: August 6, 2018

2014 journal article

Electronic structure of covalently linked zinc bacteriochlorin molecular arrays: Insights into molecular design for NIR light harvesting

Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment & General Theory, 118(42), 9901–9913.

By: K. Shrestha, J. Gonzalez-Delgado, J. Blew & E. Jakubikova

Source: NC State University Libraries
Added: August 6, 2018

2013 journal article

Orbital analysis and excited-state calculations in an energy-based fragmentation method

Journal of Chemical Theory and Computation, 9(8), 3350–3363.

By: T. Tsuchiya, K. Shrestha & E. Jakubikova

Source: NC State University Libraries
Added: August 6, 2018