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The Journal of Chemical Physics|October 17, 2019
Quantum dynamics of vibration-assisted excitation energy transfer in phycobiliprotein light-harvesting complexYana Kholod Kosenkov, Dmitri KosenkovJournal of Hazardous Materials|June 16, 2009
Predicting water solubility of congeners: chloronaphthalenes--a case studyTomasz Puzyn, Aleksandra Mostrag, Jerzy Falandysz, et al.The Journal of Physical Chemistry. A|July 13, 2006
The mechanism of unimolecular decomposition of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane. A computational DFT studySergiy Okovytyy, Yana Kholod, Mohammad Qasim, et al.Chemosphere|May 22, 2007
Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related speciesMohammad Qasim, Yana Kholod, Leonid Gorb, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 12, 2008
CL-20 photodecomposition: ab initio foundations for identification of productsYana Kholod, Dmytro Kosenkov, Sergiy Okovytyy, et al.Journal of Computational Chemistry|December 16, 2017
Excitation energy transfer pathways in light-harvesting proteins: Modeling with PyFRECYana Kholod, Michael DeFilippo, Brittany Reed, et al.The Journal of Physical Chemistry. B|April 9, 2009
Ab initio kinetic simulation of gas-phase experiments: tautomerization of cytosine and guanineDmytro Kosenkov, Yana Kholod, Leonid Gorb, et al.The Journal of Physical Chemistry. B|August 14, 2013
Ab initio study of molecular interactions in cellulose IαAjitha Devarajan, Sergiy Markutsya, Monica H Lamm, et al.Pageof 1