Publications of S. N. Yurchenko

Journal Article (28)

2011
Journal Article
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 Physics 2011, 134.
Journal Article
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 Physics 2011, 135.
Journal Article
Yurchenko, S. N.; Barber, R. J.; Tennyson, J.; Thiel, W.; Jensen, P. Towards Efficient Refinement of Molecular Potential Energy Surfaces: Ammonia as a Case Study. Journal of Molecular Spectroscopy 2011, 268, 123–129.
2010
Journal Article
Yachmenev, A.; Yurchenko, S. N.; Jensen, P.; Baum, O.; Giesen, T. F.; Thiel, W. Theoretical Rotation-Torsion Spectra of HSOH. Physical Chemistry Chemical Physics 2010, 12, 8387–8397.
Journal Article
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 Physics 2010, 132, 114305–114301-114305–114315.
Journal Article
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 Transfer 2010, 111, 2279–2290.
2009
Journal Article
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 A 2009, 113, 11845–11855.
Journal Article
Yurchenko, S. N.; Ovsyannikov, R. I.; Thiel, W.; Jensen, P. Rotation-Vibration Energy Cluster Formation in XH₂D and XHD₂ Molecules (X = Bi, P, and Sb). Journal of Molecular Spectroscopy 2009, 256, 119–127.
Journal Article
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 Spectroscopy 2009, 257, 57–65.
2008
Journal Article
Ovsyannikov, R. I.; Melnikov, V. V.; Thiel, W.; Jensen, P.; Baum, O.; Giesen, T. F.; Yurchenko, S. N. Theoretical Rotation-Torsion Energies of HSOH. Journal of Chemical Physics 2008, 129.
Journal Article
Ovsyannikov, R. I.; Thiel, W.; Yurchenko, S. N.; Carvajal, M.; Jensen, P. PH₃ Revisited: Theoretical Transition Moments for the Vibrational Transitions below 7000 Cm⁻¹. Journal of Molecular Spectroscopy 2008, 252, 121–128.
Journal Article
Ovsyannikov, R. I.; Thiel, W.; Yurchenko, S. N.; Carvajal, M.; Jensen, P. Vibrational Energies of PH₃ Calculated Variationally at the Complete Basis Set Limit. Journal of Chemical Physics 2008, 129.
Journal Article
Yurchenko, S. N.; Thiel, W.; Carvajal, M.; Jensen, P. Ab Initio Potential Energy Surface, Electric-Dipole Moment, Polarizability Tensor, and Theoretical Rovibrational Spectra in the Electronic Ground State of ¹⁴NH₃⁺. Chemical Physics 2008, 346, 146–159.
Journal Article
Yurchenko, S. N.; Voronin, B. A.; Tolchenov, R. N.; Doss, N.; Naumenko, O. V.; Thiel, W.; Tennyson, J. Potential Energy Surface of HDO up to 25 000 Cm⁻¹. Journal of Chemical Physics 2008, 128.
2007
Journal Article
Alekseyev, A. B.; Liebermann, H.-P.; Buenker, R. J.; Yurchenko, S. N. An Ab Initio Study of the CH₃I Photodissociation. I. Potential Energy Surfaces. Journal of Chemical Physics 2007, 126.
Journal Article
Bunker, P. R.; Kraemer, W. P.; Yurchenko, S. N.; Thiel, W.; Neese, C. F.; Gottfried, J. L.; Jensen, P. New Potential Energy Surfaces for the (X)over-Tilde and (A)over-Tilde States of CH₂⁺. Molecular Physics 2007, 105, 1369–1376.
Journal Article
Yurchenko, S. N.; Thiel, W.; Jensen, P. Theoretical ROVibrational Energies (TROVE): A Robust Numerical Approach to the Calculation of Rovibrational Energies for Polyatomic Molecules. Journal of Molecular Spectroscopy 2007, 245, 126–140.
2006
Journal Article
Bunker, P. R.; Guérout, R.; Jakubek, Z. J.; Jensen, P.; Yurchenko, S. N. The Rovibronic Energies of the SiNSi Radical in its (X)over-tilde²Πg Electronic State. Journal of Molecular Structure 2006, 795, 9–13.
Journal Article
Jakubek, Z. J.; Bunker, P. R.; Zachwieja, M.; Nakhate, S. G.; Simard, B.; Yurchenko, S. N.; Thiel, W.; Jensen, P. A Dispersed Fluorescence and Ab Initio Investigation of the (X)over-tilde²B₁ and òA₁ Electronic States of the PH2 Molecule. Journal of Chemical Physics 2006, 124.
Journal Article
Yurchenko, S. N.; Carvajal, M.; Thiel, W.; Jensen, P. Ab Initio Dipole Moment and Theoretical Rovibrational Intensities in the Electronic Ground State of PH₃. Journal of Molecular Spectroscopy 2006, 239, 71–87.
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