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Mykhaylo Krykunov

Mykhaylo Krykunov

Université d'Ottawa - Ottawa / Canada
Engineering & Technology / Computer Science
AD Scientific Index ID: 647496
University of Ottawa
person_outline Mykhaylo Krykunov's MOST POPULAR ARTICLES
1-) Prediction of MOF Performance in Vacuum Swing Adsorption Systems for Postcombustion CO2 Capture Based on Integrated Molecular Simulations, Process … Environmental science & technology 54 (7), 4536-4544, 2020
2-) Robust Machine Learning Models for Predicting High CO2 Working Capacity and CO2/H2 Selectivity of Gas Adsorption in Metal Organic Frameworks for … The Journal of Physical Chemistry C 123 (7), 4133-4139, 2019
3-) On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments. The Journal of Chemical Physics 130 (15), 2009
4-) Calculation of optical rotation with time-periodic magnetic-field-dependent basis functions in approximate time-dependent density-functional theory The Journal of chemical physics 123 (11), 2005
5-) Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute … The Journal of Physical Chemistry A 110 (7), 2461-2473, 2006