Fortenberry, R. C.; Huang, X.; Yachmenev, A.; Thiel, W.; Lee, T. J. On the Use of Quartic Force Fields in Variational Calculations. Chemical Physics Letters2013, 574, 1–12.
Yachmenev, A.; Yurchenko, S. N.; Jensen, P.; Thiel, W. A New "Spectroscopic" Potential Energy Surface for Formaldehyde in its Ground Electronic State. Journal of Chemical Physics2011, 134, 244307.
Yachmenev, A.; Yurchenko, S. N.; Ribeyre, T.; Thiel, W. High-Level Ab Initio Potential Energy Surfaces and Vibrational Energies of H(2)CS. Journal of Chemical Physics2011, 135, 074302.
Yachmenev, A.; Yurchenko, S. N.; Jensen, P.; Baum, O.; Giesen, T. F.; Thiel, W. Theoretical Rotation-Torsion Spectra of HSOH. Physical Chemistry Chemical Physics2010, 12, 8387–8397.
Yachmenev, A.; Yurchenko, S. N.; Paidarová, I.; Jensen, P.; Thiel, W.; Sauer, S. P. A. Thermal Averaging of the Indirect Nuclear Spin-Spin Coupling Constants of Ammonia: The Importance of the Large Amplitude Inversion Mode. Journal of Chemical Physics2010, 132, 114305–114301-114305–114315.
Yurchenko, S. N.; Carvajal, M.; Yachmenev, A.; Thiel, W.; Jensen, P. A Theoretical-Spectroscopy, Ab Initio-Based Study of the Electronic Ground State of ¹²¹SbH₃. Journal of Quantitative Spectroscopy & Radiative Transfer2010, 111, 2279–2290.
Yurchenko, S. N.; Barber, R. J.; Yachmenev, A.; Thiel, W.; Jensen, P.; Tennyson, J. A Variationally Computed T = 300 K Line List for NH₃. Journal of Physical Chemistry A2009, 113, 11845–11855.
Yurchenko, S. N.; Yachmenev, A.; Thiel, W.; Baum, O.; Giesen, T. F.; Melnikov, V. V.; Jensen, P. An Ab Initio Calculation of the Vibrational Energies and Transition Moments of HSOH. Journal of Molecular Spectroscopy2009, 257, 57–65.
Yachmenev, A. Variational Calculations of Rotational-Vibrational Spectra and Properties of Small Molecules. PhD Thesis, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, 2011.
Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.